1

Appendix H: Section 7 Supplemental, Tables

Table H-1. Trout ER binding assay parameters. 

Table H-2. Parameters for vitellogenin mRNA expression assay in trout liver slices 

Table H-3 through H-14. List of 296 Chemicals selected for testing as part of e1K with ERES TrSet chemical 

activity and activity calls in five HTP Assays. 

Table H-3. 2-;4-; or2,4,6-Benzoates through 4-Alkylbenzthiols

Table H-4. Acyclic Alchohols to Alkylcyclohexanols LogKow<2.6

Table H-5. Alkylphenols and Alkylphenols (2,6-subst). 

Table H-6. Amino anthracenedione through Cyclohexanones (#cycles =1)

Table H-7. DDT-like through Isothiazolines 

Table H-8. Log Kow Cut-off < 1.3 through Miscellaneous Charged Atom

Table H-9. Mixed Organics-Exact Match (RBA<0.00001%)

Table H-10. Mixed Organics -Exact Match (RBA <0.00001%) through Mixed Organics-Exact Match 

(RBA > 0.00001%)

Table H-11. Mixed Phenol – Exact Match (RBA <0.00001%) through Mixed Phenol-Exact Match (RBA 

>0.00001%)

Table H-12. Monocyclic Hyrdrocarbons through Phenones_cyclo substituted Exact match (RBA 

>0.0001%)

Table H-13. Phenylphenols (LogKow 2.6 – 4.2) through Salicylates (non-benzoate)

Table H-14. Sorbitans through Triazines

The following Tables expand the information in Table 7.2.2, listing individual activities of ERES TrSet 

chemicals by RBA bins and corresponding results for the 5 HTP assays. 

Table H-15. RBA Groups: 0.1 ≤ RBA < 1 and RBA > 1

Table H-16. RBA Group 0.01 ≤ RBA < 0.1

Table H-17. RBA Group: 0.001 ≤ RBA < 0.01

Table H-18. RBA Group: 0.0001 ≤ RBA < 0.001

Table H-19. RBA Group: 0.0001 ≤ RBA < 0.001

Table H.20. List of chemicals that were ERES TrSet Inactive, but Active in either BLA (16 chemicals) or BG1 

(15 chemicals) in Table 7.3.1.
2

Table H-1. Trout ER binding assay parameters

Protocol Rainbow Trout Liver Cytosol

Assay type competitive binding - [3H]E2

Receptor Source rainbow trout liver cytosolic fraction

Receptor Endogenous trout ERs

Kd (nM) 2.3

Bmax (fmol/mg) 20.9

total protein in assay tube 

(mg/ml) 4.5

Reference assay activity: 

E2 IC50 (nM) 5

Detection Method Separation of bound & free [3H]-E2

Assay format Test tube

[3H]-E2 (nM) 5

Carrier Ethanol preferred;

Alternatively can use DMSO or methanol

Conc. 1.5%

Control Yes

Vehicle Control reps 2

Reference Control E2

Reference Conc. 0.1, 1, 10, 100, and 1000 nM

replicates 2

replicate runs Duplicate or triplicate in parallel with test 

chemical

Test chemical

Stock Conc. 1.285 M or to solubility

Test Chemical Range 10 to 10,000 μM

Test Chem Replication 2/conc./run; 2 runs at minimum

Assay Buffer pH 7.6

Assay Temp 4°C

Incubation period 20h

Solubility Checked visually in stock chemical and in 

cytosol

Analytical LC-MS and GC-MS on select chemicals from 

each chemical class
3

Table H-2. Parameters for vitellogenin mRNA expression assay in trout liver slices 

Assay Slice Vtg mRNA

AGONIST

Slice Vtg mRNA

ANTAGONIST

Assay type mRNA mRNA

Assay Mode Agonist Antagonist

Assay Tissue freshly prepared liver slices freshly prepared liver slices

Cell/Tissue 

Origin

Immature male rainbow trout 

liver

Immature male rainbow trout 

liver

Receptor (s) all endogenous types all endogenous types

Endogenous 

Gene Vitellogenin Vitellogenin

Endpoint Q-PCR Q-PCR

data as Vtg mRNA copy number Vtg mRNA copy number

expressed & 

graphed as 

Vtg mRNA copy number 

per 400 ng total RNA

Vtg mRNA copy number 

per 400 ng total RNA

Carrier Ethanol (EtOH) Ethanol (EtOH)

Carrier Conc. 0.2% 0.2%

Carrier Control Yes yes

Reference 

Control E2 E2

No. of Reference 

Concentrations 

6 pt curve; n=2 slices per 

concentration

(-10 to -5 logM; 0.1 nM to 10 

μM)

6 pt curve; n=2 slices per 

concentration

(-10 to -5 logM; ; 0.1 nM to 10 

μM)

Cell Viability

1. LDH is primary cytotox test; 

MTT on a select group of 

chemicals. 

2. Slice wet weight, RNA yield 

and integrity used as secondary 

cytotox indicators.

3. Also monitor pH, osmolality, 

K+, lactose

1. LDH is primary cytotox test; 

MTT on a select group of 

chemicals. 

2. Slice wet weight, RNA yield 

and integrity used as secondary 

cytotox indicators.

3. Also monitor pH, osmolality, 

K+, lactose

Test Chemical

Stock 

Concentration in 

EtOH

Target of 3.67M for maximum, 

Actual varies and is chemical 

specific

Target of 3.67M for maximum, 

Actual varies and is chemical 

specific

Test Chemical 

Conc. Range (M)

Chemical specific,

often to solubility limit

Chemical specific, 

often to solubility limit

Test Chem Conc. 

Response curve. 6 test concentrations,

6 test concentration in 

combination with at least two 

E2 concentrations separated by 

2logM 

Sample 

Replication

6 rep per chemical 

concentration 5 rep per chemical concentration

Test Replication A minimum of 2 separate tests A minimum of one antagonist

Solubility By visual observation and 

nephelometer

By visual observation and 

nephelometer

Analytical Performed on limited number 

of test chemicals,

Performed on limited number of 

test chemicals, 
4

often to confirm metabolism of 

test chemical

often to confirm metabolism of 

test chemical

Plate Format 12-well 12-well

Tissue per well 1 precision cut liver slice/well;

8mm dia. by 200 μm thick;

1 precision cut liver slice/well;

8mm dia. by 200 μm thick;

Exposure 

Duration 48h at 11°C 48h at 11°C

media pH 7.6 7.6

Metabolic 

Activity ? yes Yes
5

Table H-3. 2-;4-; or 2,4,6-Benzoates through 4-Alkylbenzthiols

CAS Name Trout 

RBA (%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) KOWWIN NVS_NR_bER NVS_NR_hER NVS_NR_mERa Tox21_ERa_BLA_Agonist_ratioTox21_ERa_LUC_BG1_Agonist 

89714 Methyl_2-methylbenzoate 0 RBA<0.00001% 2-;4-; or2,4,6-Benzoates (Exact Match) RBA<0.00001% 2.38 -1 -1 -1 ##### #####

94086 Ethyl 4-methylbenzoate 0.000054 RBA>0.00001% 2-;4-; or2,4,6-Benzoates (Exact Match) RBA>0.00001% 2.87 -1 -1 -1 ##### #####

87241 Ethyl 2-methylbenzoate 0.000097 RBA>0.00001% 2-;4-; or2,4,6-Benzoates (Exact Match) RBA>0.00001% 2.87 -1 -1 -1 ##### #####

131555 2,2',4,4'-Tetrahydroxybenzophenone 0.108 RBA>0.00001% 2-Hydroxy Benzophenones 2.78 0.37 0.05 0.73 17.3 4.94

131566 2,4-Hydroxybenzophenone 0.032 RBA>0.00001% 2-Hydroxy Benzophenones 2.96 4.81 1.22 ##### 40.7 7.56

117997 2-Hydroxybenzophenone 0.00097 RBA>0.00001% 2-Hydroxy Benzophenones 3.44 -1 -1 -1 ##### #####

131577 2-Hydroxy-4-methoxybenzophenone 0.001013 RBA>0.00001% 2-Hydroxy Benzophenones 3.52 -1 -1 -1 44.2 15.1

4344552 butyl oxyaniline 0.000064 RBA>0.00001% 4-Alkoxyanilines (2.6<LogKow<3.7) 2.63 -1 -1 -1 ##### #####

39905572 hexyl oxyaniline 0.00018 RBA>0.00001% 4-Alkoxyanilines (2.6<LogKow<3.7) 3.61 -1 -1 -1 ##### 4.65

106490 para-Toluidine Delisted October 29, 

1999

0.000007 RBA>0.00001% 4-Alkylanilines [1.6<LogKow<5.1] 1.62 -1 -1 -1 ##### #####

33228443 4-Pentylaniline 0.0011 RBA>0.00001% 4-Alkylanilines [1.6<LogKow<5.1] 3.59 ##### ##### ##### ##### #####

33228454 4-Hexylaniline 0.0015 RBA>0.00001% 4-Alkylanilines [1.6<LogKow<5.1] 4.08 ##### ##### ##### ##### #####

106456 p-toluene_thiol 0 RBA<0.00001% 4-Alkylbenzthiols 3.23 -1 -1 -1 ##### #####

2396681 4-tert-butylthiophenol 0 RBA<0.00001% 4-Alkylbenzthiols 4.59 0.59 0.23 11.2 ##### 33.4

In NVS Columns, “-1” indicates chemical was Inactive in 25 μM pre-screen so was not tested further in full dose-response mode. 

#### in a cell indicates chemical was inactive in the assay. 

A green filled cell indicates the chemical was Active in that assay and the number indicates the AC50. 
6

Table H-4. Acyclic Alcohols to Alkylcyclohexanols LogKow<2.6

CAS Name Trout 

RBA (%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) KOWWIN NVS_NR_bER NVS_NR_hER NVS_NR_mERa Tox21_ERa_BLA_Agonist_ratioTox21_ERa_LUC_BG1_Agonist 

111273 1-Hexanol 0 RBA<0.00001% Acyclic_Alcohol 1.82 -1 -1 -1 ##### #####

104767 2-Ethyl-1-hexanol 0 RBA<0.00001% Acyclic_Alcohol 2.73 -1 -1 -1 46.8 #####

112301 1-Decanol 0 RBA<0.00001% Acyclic_Alcohol 3.79 -1 ##### -1 ##### #####

110441 Sorbic acid 0 RBA<0.00001% Acyclic_Carboxylic Acid 1.62 -1 -1 -1 ##### #####

335671 Perfluorooctanoic acid 0.00052 RBA>0.00001% Acyclic_Perfluoro (RBA>0.00001%) 6.30 ##### ##### -1 ##### #####

126921 Sodium ethasulfate 0 RBA<0.00001% Acyclic_Sulfate -0.35 -1 -1 -1 ##### #####

142314 Sodium octyl sulfate 0 RBA<0.00001% Acyclic_Sulfate -0.27 -1 -1 -1 ##### #####

55406536 3-Iodo-2-propynyl butylcarbamate 0 RBA<0.00001% Acyclics_Other 2.45 ##### ##### -1 ##### #####

97778 Disulfiram 0 RBA<0.00001% Acyclics_Other 3.67 ##### ##### ##### ##### #####

112005 1-Dodecanaminium, N,N,N-trimethyl-, 

chloride

0 RBA<0.00001% Acyclics_Quat Amine 1.22 ##### ##### ##### ##### #####

100516 Benzyl alcohol 0 RBA<0.00001% Alcohols (LogKow<3.4) 1.08 -1 -1 -1 ##### #####

104541 3-Phenyl-2-propen-1-ol 0 RBA<0.00001% Alcohols (LogKow<3.4) 1.84 -1 -1 -1 ##### #####

150765 4-Methoxyphenol 0.000025 RBA>0.00001% Alkoxyphenols [LogKow 1.5 - 4.1] 1.59 ##### ##### ##### ##### #####

97530 Eugenol 0.000092 RBA>0.00001% Alkoxyphenols [LogKow 1.5 - 4.1] 2.73 -1 ##### -1 49.8 #####

121006 3-tert-Butyl-4-hydroxyanisole 0.00079 RBA>0.00001% Alkoxyphenols [LogKow 1.5 - 4.1] 3.50 -1 ##### -1 ##### #####

18979550 hexyloxyphenol 0.0035 RBA>0.00001% Alkoxyphenols [LogKow 1.5 - 4.1] 4.05 ##### ##### 0.12 ##### 7.04

657841 Sodium p-tolylsulfonate 0 RBA<0.00001% Alkylaromatic Sulfonic Acids -2.40 -1 -1 -1 ##### #####

130143 Sodium 1-naphthalenesulfonate 0 RBA<0.00001% Alkylaromatic Sulfonic Acids -1.78 -1 -1 -1 ##### #####

532025 2-Naphthalenesulfonic acid sodium salt 0 RBA<0.00001% Alkylaromatic Sulfonic Acids -1.78 -1 -1 -1 ##### #####

6149037 sodium p-octylbenzenesulphonate 0 RBA<0.00001% Alkylaromatic Sulfonic Acids 1.03 ##### ##### ##### ##### #####

27176870 4-Dodecylbenzenesulfonic acid 0 RBA<0.00001% Alkylaromatic Sulfonic Acids 4.78 26.4 19.1 17.8 76.7 #####

15499271 4-n-butylchlorobenzene 0.00016 RBA>0.00001% Alkylchlorobenzenes [LogKow=4.5-5.5] 4.66 -1 -1 -1 ##### #####

79098207 4-Chloropentylbenzene 0.00018 RBA>0.00001% Alkylchlorobenzenes [LogKow=4.5-5.5] 5.15 -1 -1 -1 ##### #####

70568604 4-n-butylcyclohexanol 0.00024 RBA>0.00001% Alkylcyclohexanols 3.5<LogKow<4.4 3.53 -1 -1 -1 ##### #####

5349519 4-(2-Methylbutan-2-yl)cyclohexanol 0.00044 RBA>0.00001% Alkylcyclohexanols 3.5<LogKow<4.4 3.91 16.2 2.54 ##### ##### #####

2433149 4-Cyclohexylcyclohexanol 0.00030 RBA>0.00001% Alkylcyclohexanols 3.5<LogKow<4.4 4.32 ##### ##### ##### ##### #####

108930 Cyclohexanol 0 RBA<0.00001% Alkylcyclohexanols LogKow<2.6 1.64 ##### ##### ##### ##### #####
7

Table H-5. Alkylphenols and Alkylphenols (2,6-subst)

CAS Name Trout RBA 

(%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER 

Expert System ver. 2

LOG(KOW) 

KOWWIN

NVS_NR_bERNVS_NR_hER

NVS_NR_mER

a

Tox21_ERa_BL

A_Agonist_ratio

Tox21_ERa_LU

C_BG1_Agonist

108952 Phenol 0.000026 RBA>0.00001% Alkylphenols 1.51 -1 ##### -1 ##### #####

106445 CRESOL, PARA- 0.000090 RBA>0.00001% Alkylphenols 2.06 -1 ##### -1 ##### #####

123079 4-Ethylphenol 0.00036 RBA>0.00001% Alkylphenols 2.55 ##### ##### ##### ##### #####

99898 4-Isopropylphenol 0.00049 RBA>0.00001% Alkylphenols 2.97 ##### ##### ##### ##### #####

645567 4-Propylphenol 0.00088 RBA>0.00001% Alkylphenols 3.04 ##### ##### ##### ##### #####

585342 3-tert-butylphenol 0.00091 RBA>0.00001% Alkylphenols 3.42 ##### ##### ##### ##### #####

98544 4-tert-Butylphenol 0.0014 RBA>0.00001% Alkylphenols 3.42 ##### ##### ##### 45.4 #####

88186 2-tert-Butylphenol 0.0018 RBA>0.00001% Alkylphenols 3.42 -1 ##### -1 51.6 #####

89725 2-(butan-2-yl)phenol 0.0010 RBA>0.00001% Alkylphenols 3.46 -1 ##### -1 ##### #####

99718 4-(butan-2-yl)phenol 0.0018 RBA>0.00001% Alkylphenols 3.46 ##### ##### ##### ##### #####

89838 Thymol 0.00041 RBA>0.00001% Alkylphenols 3.52 -1 ##### -1 ##### #####

1638228 4-butylphenol 0.0035 RBA>0.00001% Alkylphenols 3.53 ##### ##### ##### ##### #####

80466 4-(2-methylbutan-2-yl)phenol 0.0040 RBA>0.00001% Alkylphenols 3.91 ##### ##### ##### 44.2 6.06

1987504 4-Heptylphenol 0.021 RBA>0.00001% Alkylphenols 5.01 ##### ##### ##### ##### 16.6

140669 4-(1,1,3,3-Tetramethylbutyl)phenol 0.0094 RBA>0.00001% Alkylphenols 5.28 9.64 3.36 14.7 4.52 0.7

96764 2,4-Di-tert-butylphenol 0.0027 RBA>0.00001% Alkylphenols 5.33 -1 -1 -1 ##### #####

1806264 4-Octylphenol 0.0091 RBA>0.00001% Alkylphenols 5.50 ##### ##### ##### ##### 11.3

84852153 4-Nonylphenol, branched 0.046 RBA>0.00001% Alkylphenols 5.92 17 5.55 8.7 6.25 0.69

104405 4-Nonylphenol 0.016 RBA>0.00001% Alkylphenols 5.99 ##### ##### ##### ##### 13.4

27193868 dodecylphenol 0.012 RBA>0.00001% Alkylphenols 7.46 ##### 12.3 ##### 2.75 1.03

2078548 Propofol 0 RBA<0.00001% Alkylphenols (2,6-subst) 3.57 -1 -1 -1 ##### #####

489010 2,6-Di-tert-butyl-4-methoxyphenol 0 RBA<0.00001% Alkylphenols (2,6-subst) 4.56 ##### ##### ##### ##### #####

128370 2,6-Di-tert-butyl-p-methylphenol 0 RBA<0.00001% Alkylphenols (2,6-subst) 5.03 -1 -1 -1 ##### #####

119471 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 0 RBA<0.00001% Alkylphenols (2,6-subst) 7.97 ##### ##### ##### ##### #####

88244 phenol,_2,2'-methylenebis_6-(1,1-dimethylethyl)-4-ethyl- 0 RBA<0.00001% Alkylphenols (2,6-subst) 8.95 ##### ##### ##### ##### #####
8

Table H-6. Amino anthracenedione through Cyclohexanones (#cycles =1)

CAS Name Trout 

RBA (%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) KOWWIN NVS_NR_bER NVS_NR_hER NVS_NR_mERa Tox21_ERa_BLA_Agonist_ratioTox21_ERa_LUC_BG1_Agonist 

128950 1,4-Diaminoanthraquinone 0 RBA<0.00001% Amino Anthracenedione (LogKow>3.0) 3.16 -1 -1 -1 ##### #####

19780111 (2-dodecen-1-yl)-succinic anhydride 0 RBA<0.00001% Anhydrides 6.41 ##### ##### ##### ##### #####

93992 phenyl benzoate 0 RBA<0.00001% Benzoates (non-ring Subst)[3.0<=LogKow<=4.3] 3.04 -1 -1 -1 ##### #####

136607 Butyl benzoate 0 RBA<0.00001% Benzoates (non-ring Subst)[3.0<=LogKow<=4.3] 3.30 -1 -1 -1 ##### #####

94462 isopentyl benzoate 0 RBA<0.00001% Benzoates (non-ring Subst)[3.0<=LogKow<=4.3] 3.72 ##### ##### 6.82 ##### #####

94473 phenethyl benzoate 0 RBA<0.00001% Benzoates (non-ring Subst)[3.0<=LogKow<=4.3] 4.03 -1 -1 -1 ##### 27.1

6789884 Hexyl benzoate 0 RBA<0.00001% Benzoates (non-ring Subst)[3.0<=LogKow<=4.3] 4.28 -1 -1 -1 ##### #####

2440224 2-(2-Hydroxy-5-

methylphenylbenzotriazole

0 RBA<0.00001% Benzotriazole Phenol 3.00 ##### ##### 7.54 ##### 2.99

3147759 Octrizole 0 RBA<0.00001% Benzotriazole Phenol 6.21 -1 ##### -1 ##### #####

101779 4,4'-Methylenedianiline 0 RBA<0.00001% Bis-Anilines [2.1<=LogKow<=6.4] 2.18 ##### ##### ##### ##### #####

101611 4,4'-Methylene bis(N,Ndimethyl)benzenamine

0 RBA<0.00001% Bis-Anilines [2.1<=LogKow<=6.4] 4.37 -1 ##### -1 ##### #####

13680358 4,4'-Methylenebis(2,6-

diethylaniline)

0 RBA<0.00001% Bis-Anilines [2.1<=LogKow<=6.4] 6.34 ##### 0.06 ##### ##### #####

56951 Chlorhexidine diacetate 0 RBA<0.00001% Carboxylic Acid Functional Group 0.09 ##### 7.3 0.11 ##### #####

499832 2,6-Pyridinedicarboxylic acid 0 RBA<0.00001% Carboxylic Acid Functional Group 0.57 -1 -1 -1 ##### #####

150130 4-Aminobenzoic acid 0 RBA<0.00001% Carboxylic Acid Functional Group 0.96 -1 -1 -1 ##### #####

121915 1,3-Benzenedicarboxylic acid 0 RBA<0.00001% Carboxylic Acid Functional Group 1.76 -1 -1 -1 ##### #####

69727 Salicylic acid 0 RBA<0.00001% Carboxylic Acid Functional Group 2.24 -1 -1 -1 50.2 #####

480637 2,4,6-Trimethylbenzoic acid 0 RBA<0.00001% Carboxylic Acid Functional Group 2.42 -1 -1 -1 ##### #####

31519229 1,4-Dihydroxy-2-naphthoic acid 0 RBA<0.00001% Carboxylic Acid Functional Group 2.94 ##### ##### ##### ##### #####

93765 2,4,5-Trichlorophenoxyacetic acid 0 RBA<0.00001% Carboxylic Acid Functional Group 3.26 -1 -1 -1 ##### #####

81903 Phenolphthalin 0 RBA<0.00001% Carboxylic Acid Functional Group 3.95 22.6 7.82 ##### ##### #####

40649363 4-propylcyclohexanone 0.00011 RBA>0.00001% Cyclohexanones (#cycles=1) 2.53 -1 -1 -1 ##### #####

16587716 4-tert-pentylcyclohexanone 0.00013 RBA>0.00001% Cyclohexanones (#cycles=1) 3.40 4.42 0.89 ##### ##### #####

92682 4-Cyclohexylcyclohexanone 0 RBA<0.00001% Cyclohexanones (#cycles>1) 3.81 13.5 ##### ##### ##### #####
9

Table H-7. DDT-like through Isothiazolines 

CAS Name

Trout 

RBA 

(%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 

2

LOG(KOW) KOWWIN NVS_NR_bER NVS_NR_hER NVS_NR_mERa Tox21_ERa_BLA_Agonist_ratioTox21_ERa_LUC_BG1_Agonist 

53190 DDD, O,P'- 0.019 RBA>0.00001% DDT-like Exact Match (RBA>0.00001%) 5.87 ##### ##### 27 7.89 2.67

72548 DDD 0.019 RBA>0.00001% DDT-like Exact Match (RBA>0.00001%) 5.87 ##### ##### ##### ##### #####

72559 DDE 0.016 RBA>0.00001% DDT-like Exact Match (RBA>0.00001%) 6.00 ##### ##### ##### ##### #####

50293 DDT 0.023 RBA>0.00001% DDT-like Exact Match (RBA>0.00001%) 6.79 -1 ##### -1 ##### #####

789026 o,p'-DDT 0.024 RBA>0.00001% DDT-like Exact Match (RBA>0.00001%) 6.79 ##### ##### ##### 4.34 1.5

90722 2,4,6-Tris(dimethylaminomethyl)phenol 0 RBA<0.00001% Dimethylamino Phenol 0.77 ##### ##### ##### ##### #####

120650 2-((Dimethylamino)methyl)phenol 0 RBA<0.00001% Dimethylamino Phenol 1.27 ##### ##### ##### ##### #####

99070 3-Dimethylaminophenol 0 RBA<0.00001% Dimethylamino Phenol 1.34 ##### ##### ##### ##### #####

2321075 Fluorescein 0.00065 RBA>0.00001% Fluoresceins 3.35 14.3 9.77 22.4 ##### #####

1166525 n-dodecyl gallate 0 RBA<0.00001% Gallates - Exact Match RBA<0.00001% 6.21 ##### ##### 11.4 57.6 #####

121799 Propyl gallate 0.00084 RBA>0.00001% Gallates - Exact Match RBA>0.00001% 1.79 ##### ##### ##### 54.6 #####

50817 L-Ascorbic acid 0 RBA<0.00001% Hydrofurans [LogKow<=6.1] -1.88 -1 -1 -1 ##### 25.7

97994 Tetrahydrofurfuryl alcohol 0 RBA<0.00001% Hydrofurans [LogKow<=6.1] -0.11 -1 -1 -1 ##### #####

105215 heptan-4-olide 0 RBA<0.00001% Hydrofurans [LogKow<=6.1] 1.09 -1 -1 -1 ##### #####

104610 Dihydro-5-pentyl-2(3H)-furanone 0 RBA<0.00001% Hydrofurans [LogKow<=6.1] 2.08 -1 -1 -1 ##### #####

137666 Ascorbyl palmitate 0 RBA<0.00001% Hydrofurans [LogKow<=6.1] 6.00 -1 -1 -1 ##### #####

116256 1-(Hydroxymethyl)-5,5-dimethylhydantoin 0 RBA<0.00001% Imidazolidines [LogKow<=0] -1.53 -1 ##### -1 ##### #####

77485 1,3-Dibromo-5,5-dimethylhydantoin 0 RBA<0.00001% Imidazolidines [LogKow<=0] -0.94 -1 -1 -1 ##### #####

118525 1,3-Dichloro-5,5-dimethylhydantoin 0 RBA<0.00001% Imidazolidines [LogKow<=0] -0.94 -1 -1 -1 ##### #####

16079882 Bromo-3-chloro-5,5-dimethylhydantoin 0 RBA<0.00001% Imidazolidines [LogKow<=0] -0.94 -1 -1 -1 ##### #####

744456 Diphenyl isophthalate 0 RBA<0.00001% IsoPhtalates (Exact Match) 

RBA<0.00001%

4.10 ##### ##### ##### ##### 2.97

81072 Saccharin 0 RBA<0.00001% Isothiazolines [LogKow<=2.7] 0.45 -1 -1 -1 ##### #####

2634335 1,2-Benzisothiazolin-3-one 0 RBA<0.00001% Isothiazolines [LogKow<=2.7] 0.64 -1 -1 -1 ##### #####

26530201 Octhilinone 0 RBA<0.00001% Isothiazolines [LogKow<=2.7] 2.61 ##### ##### ##### ##### #####
10

Table H-8. Log Kow Cut-off < 1.3 through Miscellaneous Charged Atom

CAS Name Trout 

RBA (%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) 

KOWWIN

NVS_NR_bERNVS_NR_hER

NVS_NR_mER

a

Tox21_ERa_BLA_Agonist_ratioTox21_ERa_LUC_BG1_Agonist 

496468 Glycoluril 0 RBA<0.00001% Log Kow Cut-off <1.3 -3.28 -1 -1 -1 ##### #####

13463417 Zinc pyrithione 0 RBA<0.00001% Log Kow Cut-off <1.3 -1.99 ##### ##### ##### ##### #####

520456 Dehydroacetic acid 0 RBA<0.00001% Log Kow Cut-off <1.3 -1.31 ##### ##### ##### ##### #####

65236 Pyridoxine 0 RBA<0.00001% Log Kow Cut-off <1.3 -0.56 -1 -1 -1 ##### #####

98920 Nicotinamide 0 RBA<0.00001% Log Kow Cut-off <1.3 -0.45 -1 -1 -1 17.1 #####

118718 Maltol 0 RBA<0.00001% Log Kow Cut-off <1.3 -0.19 -1 ##### -1 ##### #####

1477550 m-Xylylenediamine 0 RBA<0.00001% Log Kow Cut-off <1.3 0.15 ##### ##### ##### 3.14 #####

58082 Caffeine 0 RBA<0.00001% Log Kow Cut-off <1.3 0.16 -1 -1 -1 ##### #####

828002 Dimethoxane 0 RBA<0.00001% Log Kow Cut-off <1.3 0.49 -1 ##### -1 ##### #####

120923 cyclopentanone 0 RBA<0.00001% Log Kow Cut-off <1.3 0.63 -1 -1 -1 ##### #####

85264331 (3,5-Dimethyl-1H-pyrazol-1-

yl)methanol

0 RBA<0.00001% Log Kow Cut-off <1.3 0.79 -1 -1 -1 ##### #####

59405 Sulfaquinoxaline 0 RBA<0.00001% Log Kow Cut-off <1.3 0.84 -1 -1 -1 ##### #####

533744 Dazomet 0 RBA<0.00001% Log Kow Cut-off <1.3 0.94 ##### ##### -1 ##### #####

123319 Hydroquinone 0 RBA<0.00001% Log Kow Cut-off <1.3 1.03 -1 ##### -1 46 #####

121335 4-Hydroxy-3-methoxybenzaldehyde

0 RBA<0.00001% Log Kow Cut-off <1.3 1.05 ##### 29.2 ##### ##### #####

122996 2-Phenoxyethanol 0 RBA<0.00001% Log Kow Cut-off <1.3 1.10 -1 -1 -1 ##### #####

108941 Cyclohexanone 0 RBA<0.00001% Log Kow Cut-off <1.3 1.13 ##### -1 -1 ##### #####

96413 cyclopentanol 0 RBA<0.00001% Log Kow Cut-off <1.3 1.15 ##### ##### ##### ##### #####

95147 1,2,3-Benzotriazole 0 RBA<0.00001% Log Kow Cut-off <1.3 1.17 -1 -1 -1 ##### #####

99934 4'-Hydroxyacetophenone 0 RBA<0.00001% Log Kow Cut-off <1.3 1.19 -1 -1 -1 ##### #####

85416 Phthalimide 0 RBA<0.00001% Log Kow Cut-off <1.3 1.30 -1 -1 -1 ##### #####

7080504 Chloramine-T trihydrate 0 RBA<0.00001% Miscellaneous Charged Atom 0.84 -1 -1 -1 ##### 33.7

2893789 Sodium dichloroisocyanurate 0 RBA<0.00001% Miscellaneous Charged Atom 1.28 -1 -1 -1 ##### #####

61734 Methylene blue 0 RBA<0.00001% Miscellaneous Charged Atom 4.02 -1 -1 -1 ##### #####
11

Table H-9. Mixed Organics-Exact Match (RBA<0.00001%)

CAS Name

Trout 

RBA 

(%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) 

KOWWIN

NVS_NR_bERNVS_NR_hER

NVS_NR_mERa

Tox21_ERa_BL

A_Agonist_ratio

Tox21_ERa_LU

C_BG1_Agonist

51058 procaine hydrochloride 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) -0.84 -1 -1 -1 ##### #####

120149 Veratraldehyde 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 1.36 -1 -1 -1 ##### #####

643798 1,2-Benzenedicarboxaldehyde 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 1.43 ##### ##### ##### 23.7 18.7

487069 2H-1-Benzopyran-2-one, 5,7-dimethoxy- 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 1.67 -1 -1 -1 ##### #####

123115 4-Anisaldehyde 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 1.79 -1 -1 -1 ##### #####

1192525 4,5-dichloro (3H)-1,2-dithiol-3-one 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 1.83 -1 -1 -1 ##### #####

64868 Colchicine 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 1.86 -1 -1 -1 ##### #####

50226 Corticosterone 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 1.99 ##### ##### ##### ##### #####

150787 Hydroquinone dimethyl ether 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.15 -1 -1 -1 ##### #####

66717 1,10-Phenanthroline 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.29 ##### ##### ##### ##### #####

98730042 Benoxacor 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.38 0.4 0.14 1.92 17.2 #####

5437456 Benzyl bromoacetate 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.42 -1 -1 -1 ##### 48.7

705602 trans-beta-Methyl-beta-nitrostyrene 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.49 ##### ##### ##### ##### #####

121391 Ethyl 3-phenylglycidate 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.55 ##### ##### ##### ##### #####

78591 Isophorone 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.62 ##### ##### ##### ##### #####

120569 Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 

dibenzoate

0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.77 -1 -1 -1 ##### #####

133073 Folpet 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.84 ##### ##### -1 ##### #####

93083 2'-Acetonaphthone 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.85 -1 -1 -1 ##### #####

149304 2-Mercaptobenzothiazole 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.86 ##### ##### ##### ##### #####

77838 Ethyl methylphenylglycidate 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.00 -1 -1 -1 ##### #####

50471448 Vinclozolin 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.03 ##### ##### ##### ##### #####

21564170 2-(Thiocyanomethylthio)benzothiazole 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.12 -1 -1 -1 ##### #####

71526073 Ethanone, 2,2-dichloro-1-(1-oxa-4-

azaspiro[4.5]dec-4-yl)-

0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.19 -1 -1 -1 ##### #####

13311847 Flutamide 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.51 ##### ##### ##### ##### #####

57830 Progesterone 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.67 18.7 12.1 ##### ##### #####

58184 Methyltestosterone 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.72 ##### 4.66 ##### 5.08 0.11

1675543 Bisphenol A diglycidyl ether 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.84 ##### ##### ##### ##### #####

125122 Isobornyl acetate 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.86 -1 -1 -1 ##### #####
12

Table H-10. Mixed Organics -Exact Match (RBA <0.00001%) through Mixed Organics-Exact Match (RBA > 0.00001%)

CAS Name Trout 

RBA (%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) 

KOWWIN

NVS_NR_bERNVS_NR_hER

NVS_NR_mERa

Tox21_ERa_BL

A_Agonist_ratio

Tox21_ERa_LU

C_BG1_Agonist

91532 Ethoxyquin 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.87 -1 27.9 -1 ##### #####

27138314 Dipropylene glycol dibenzoate 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.88 -1 -1 -1 ##### 24.3

4342363 Tributyltin benzoate 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 4.69 ##### ##### 8.64 ##### #####

556672 Octamethylcyclotetrasiloxane 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 5.09 ##### ##### ##### ##### #####

163520330 Isoxadifen-ethyl 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 5.66 -1 -1 -1 ##### #####

21245023 2-Ethylhexyl 4-

(dimethylamino)benzoate

0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 5.77 -1 -1 -1 ##### #####

120068373 Fipronil 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 6.64 -1 -1 -1 ##### #####

127253 Methyl abietate 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 6.75 -1 -1 -1 ##### #####

95385 1h-imidazole-1-ethanol,_2-(8-

heptadecenyl)-4,5-dihydro0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 7.51 ##### ##### ##### 50.6 #####

120729 Indole 0.000098 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.05 -1 -1 -1 ##### #####

3622842 N-Butylbenzenesulfonamide 0.000029 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.31 ##### ##### ##### ##### #####

626437 3,5-dichloroaniline 0.0006783 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.37 ##### ##### ##### ##### #####

4712554 Diphenyl phosphite 0.00020 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.40 ##### 5.17 ##### ##### 15.7

87252 Ethyl anthranilate 0.000059 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.76 -1 -1 -1 ##### #####

6285058 4-chloropropiophenone 0.000089 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.81 -1 -1 -1 ##### #####

24851987 Methyl 3-oxo-2-pentylcyclopentaneacetate

0.000073 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.98 -1 -1 -1 ##### #####

104450 4-Propylanisole 0.000075 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 3.60 -1 -1 -1 ##### #####

60168889 Fenarimol 0.0002397 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 3.62 ##### ##### -1 24.8 4.5

97563 o-Aminoazotoluene 0.0024 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 4.29 ##### ##### ##### ##### 1.73

199584388 1-methoxy-4-tert-pentylcyclohexane 0.00010 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 4.61 -1 -1 -1 ##### #####

101860 Hexyl cinnamic aldehyde 0.0018 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 4.82 -1 ##### -1 49.1 #####

1335462 Ionone, methyl- 0.0008063 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 4.84 ##### ##### ##### ##### #####

127515 3-Buten-2-one, 3-methyl-4-(2,6,6-

trimethyl-2-cyclohexen-1-yl)-

0.001224 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 4.84 -1 -1 -1 ##### #####

32388559 Ethanone, 1-[(3R,3aR,7R,8aS)-

2,3,4,7,8,8a-hexahydro-3,6,8,8-

tetramethyl-1H-3a,7-methanoazulen5-yl]-

0.0026 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 5.02 -1 -1 -1 ##### #####

72435 Methoxychlor 0.028 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 5.67 ##### 6.34 ##### 5.62 #####
13

Table H-11. Mixed Phenol – Exact Match (RBA <0.00001%) through Mixed Phenol-Exact Match (RBA >0.00001%)

CAS Name Trout RBA 

(%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) 

KOWWIN

NVS_NR_b

ER

NVS_NR_h

ER

NVS_NR_m

ERa

Tox21_ERa_

BLA_Agoni

st_ratio

Tox21_ERa_

LUC_BG1_

Agonist

134316 8-Hydroxyquinoline sulfate 0 RBA<0.00001% Mixed Phenol - Exact Match (RBA<0.00001%) 3.79 #### 26.4 #### 42.4 ####

2491385 2-Bromo-4-hydroxyacetophenone 0 RBA<0.00001% Mixed Phenol - Exact Match (RBA<0.00001%) 1.54 #### 13.7 #### #### ####

94917 N,N'-Disalicylidene-1,2-diaminopropane 0 RBA<0.00001% Mixed Phenol - Exact Match (RBA<0.00001%) 2.52 -1 -1 -1 #### ####

4638486 5-Chlorosalicylanilide 0 RBA<0.00001% Mixed Phenol - Exact Match (RBA<0.00001%) 3.94 #### #### #### #### ####

3380345 Triclosan 0 RBA<0.00001% Mixed Phenol - Exact Match (RBA<0.00001%) 4.66 #### #### #### 35 ####

87865 Pentachlorophenol 0 RBA<0.00001% Mixed Phenol - Exact Match (RBA<0.00001%) 4.74 #### #### #### #### ####

1843056 2-Hydroxy-4-octyloxybenzophenone 0 RBA<0.00001% Mixed Phenol - Exact Match (RBA<0.00001%) 6.96 -1 -1 -1 #### ####

654055013 Morin hydrate 0.00041 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 1.48 #### 3.74 #### #### ####

80091 4,4'-Sulfonyldiphenol 0.0020 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 1.65 11.6 4.24 #### 15.9 1.37

100027 4-Nitrophenol 0.00019 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 1.91 -1 -1 -1 #### ####

486668 Daidzein 0.036 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 2.55 0.59 0.16 0.28 4.64 1.06

135193 2-Naphthalenol 0.0012 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 2.69 25.4 3.65 #### 44 ####

59507 4-Chloro-3-methylphenol 0.00096 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 2.70 #### #### #### 47.3 29.2

50271 Estriol 4.0 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 2.81 0.01 0.02 0.04 0 0

446720 Genistein 1.7 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 2.84 0.15 0.01 0.1 8.18 0.94

1948330 tert-Butylhydroquinone 0.00079 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 2.94 -1 #### -1 #### ####

77098 Phenolphthalein 0.020 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 3.06 0.66 0.89 0.26 3.39 21.2

53167 Estrone 5.0 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 3.43 0.01 0 0.01 0 0

80057 Bisphenol A 0.011 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 3.64 1.8 0.58 2.15 1.32 0.32

57910 17alpha-Estradiol 0.98 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 3.94 0 0 0.01 0 0

50282 Estradiol 17B 125.0 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 3.94 0 0 0 0 0

57636 17a ethinyl estradiol 88.9 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 4.12 0 0 0 0 0

77407 Bisphenol B 0.041 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 4.13 0.24 0.02 0.02 0.32 0.15

120321 Clorophene 0.0044 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 4.18 24.9 24.5 19.8 ### ####

97234 Dichlorophene 0.0041 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 4.34 #### 22.6 #### #### ####

1478611 phenol,4,4-(2,2,2-triflouro-1-

(trifluromethyl)ethylidene] 0.33 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 4.47 0.19 0.04 0.02 0.9 0.13

2971360 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 0.52 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 4.55 0.02 0.04 -1 #### 0.05

84162 meso-Hexestrol 93.0 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 5.60 0 0 0 0 0

56531 Diethylstilbestrol (DES) 178.9 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 5.64 0 0 0 0 0

79947 3,3,5,5-Tetrabromobisphenol A 0.019 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 7.20 #### ##### #### 46.7 #####
14

Table H-12. Monocyclic Hydrocarbons through Phenones_cyclo substituted (Exact match ) RBA >0.0001%

CAS Name Trout RBA 

(%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) 

KOWWIN

NVS_NR_bERNVS_NR_hER

NVS_NR_mER

a

Tox21_ERa_BL

A_Agonist_rati

o

Tox21_ERa_LU

C_BG1_Agonis

t

717748 1,3,5-Triisopropylbenzene 0 RBA<0.00001% Mono-cyclic Hydrocarbons [2.5<=LogKow<=6.4] 6.36 -1 -1 -1 ##### #####

91203 Naphthalene 0 RBA<0.00001% Multi Cyclic Hydrocarbons - Exact Match 

(RBA<0.00001%)

3.17 -1 ##### -1 ##### #####

86737 Fluorene 0 RBA<0.00001% Multi Cyclic Hydrocarbons - Exact Match 

(RBA<0.00001%)

4.02 -1 ##### -1 ##### #####

80568 alpha-Pinene 0 RBA<0.00001% Multi Cyclic Hydrocarbons - Exact Match 

(RBA<0.00001%)

4.27 -1 -1 -1 ##### #####

1625918 4,4-Ditertbutylbiphenyl 0 RBA<0.00001% Multi Cyclic Hydrocarbons - Exact Match 

(RBA<0.00001%)

7.58 -1 -1 -1 ##### #####

58720 Triphenylethylene 3.0 RBA>0.00001% Multi Cyclic Hydrocarbons - Exact Match 

(RBA>0.00001%)

5.49 ##### ##### 8.57 2.24 0.56

842079 C.I. Solvent Yellow 14 0 RBA<0.00001% Naphthalenol_Azophenyl 5.51 ##### ##### ##### ##### 21.6

7747355 Oxazolidine E 0 RBA<0.00001% Oxazoles [LogKow<=0.5] 0.40 -1 -1 -1 45.3 #####

17696627 4-Hydroxybenzoicacid phenyl ester 0 RBA<0.00001% Parabens (benzoate) 3.21 ##### 0.84 0.19 47.2 33.2

99763 Methylparaben 0.00015 RBA>0.00001% Parabens (non-benzoate) 2.00 ##### ##### ##### ##### #####

120478 Ethylparaben 0.00080 RBA>0.00001% Parabens (non-benzoate) 2.49 ##### 6.73 ##### 71 39.4

94133 Propylparaben 0.0025 RBA>0.00001% Parabens (non-benzoate) 2.98 ##### 4.4 ##### 46.1 12.6

94268 Butylparaben 0.0036 RBA>0.00001% Parabens (non-benzoate) 3.47 17.7 5.92 8.72 43.2 43.2

94188 Benzyl 4-hydroxybenzoate 0.0021 RBA>0.00001% Parabens (non-benzoate) 3.70 1.23 0.14 1.06 40.2 14.3

1085127 n-heptyl 4-hydroxybenzoate 0.015 RBA>0.00001% Parabens (non-benzoate) 4.94 ##### 3.22 ##### 48.2 9.52

1219381 n-octyl 4-hydroxybenzoate 0.012 RBA>0.00001% Parabens (non-benzoate) 5.43 ##### 2.6 1.65 44 4.41

143748 phenol red 0.000101 RBA>0.00001% Phenolsulfonphthaleins 3.21 30 14.6 21.2 ##### #####

115399 Bromophenol blue 0 RBA<0.00001% Phenolsulfonphthaleins hindered 6.77 ##### ##### ##### ##### #####

611701 Isobutyrophenone 0.000074 RBA>0.00001% Phenones (Branched) 2.5<LogKow<4.9 2.58 -1 -1 -1 ##### #####

938169 tert-Butylphenylketone 0.000092 RBA>0.00001% Phenones (Branched) 2.5<LogKow<4.9 3.04 ##### ##### ##### ##### #####

98862 Acetophenone 0 RBA<0.00001% Phenones (n-alkyl)[LogKow<=4.2] 1.67 -1 -1 -1 ##### #####

1671756 Heptanophenone 0 RBA<0.00001% Phenones (n-alkyl)[LogKow<=4.2] 4.13 ##### ##### ##### ##### #####

451401 deoxybenzoin 0 RBA<0.00001% Phenones cyclo-substituted (Exact match) 

RBA<0.00001%

3.38 ##### ##### ##### ##### #####

5407987 Cyclobutyl phenyl ketone 0.00013 RBA>0.00001% Phenones cyclo-substituted (Exact match)RBA>0.00001% 2.96 -1 -1 -1 ##### #####

119619 Benzophenone 0.000243 RBA>0.00001% Phenones cyclo-substituted (Exact match)RBA>0.00001% 3.15 ##### ##### ##### ##### 36.3
15

Table H-13. Phenylphenols (LogKow 2.6 – 4.2) through Salicylates (non-benzoate)

CAS Name Trout 

RBA (%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert 

System ver. 2

LOG(KOW) 

KOWWIN

NVS_NR_bERNVS_NR_hER

NVS_NR_mE

Ra

Tox21_ERa_B

LA_Agonist_ra

tio

Tox21_ERa_L

UC_BG1_Ago

nist

90437 o-Phenylphenol 0.00074 RBA>0.00001% Phenylphenols [LogKow 2.6 - 4.2] 3.28 #### #### -1 52.1 ####

92693 4-Phenylphenol 0.0048 RBA>0.00001% Phenylphenols [LogKow 2.6 - 4.2] 3.28 #### 12.4 #### 42.7 11.1

599644 4-Cumylphenol 0.0073 RBA>0.00001% Phenylphenols [LogKow 2.6 - 4.2] 4.12 7.46 1.67 15.6 13.1 0.63

115866 Triphenyl phosphate 0.0012 RBA>0.00001% Phosphoric Acid Esters 4.70 -1 #### -1 #### ####

1241947 2-Ethylhexyl diphenyl phosphate 0.0019 RBA>0.00001% Phosphoric Acid Esters 6.30 -1 -1 -1 #### ####

838857 diphenyl phosphate 0 RBA<0.00001% Phosphoric Acid Functional Group 2.88 -1 -1 -1 #### ####

101020 Triphenyl phosphite 0 RBA<0.00001% Phosphorous Acid Esters 6.62 #### #### #### #### ####

25550985 Diisodecylphenyl phosphite 0 RBA<0.00001% Phosphorous Acid Esters 10.41 -1 -1 -1 #### ####

131113 Dimethyl phthalate 0.000009 RBA>0.00001% Phthalates 1.6<LogKow<6.6 1.66 #### #### -1 #### 24.3

84662 Diethyl Phthalate 0.000066 RBA>0.00001% Phthalates 1.6<LogKow<6.6 2.65 -1 -1 -1 #### ####

131179 Diallyl phthalate 0.000099 RBA>0.00001% Phthalates 1.6<LogKow<6.6 3.36 -1 #### -1 #### ####

605458 Diisopropyl phthalate 0.00020 RBA>0.00001% Phthalates 1.6<LogKow<6.6 3.48 -1 -1 -1 #### ####

84742 Di-n-butylphtalate 0.0017 RBA>0.00001% Phthalates 1.6<LogKow<6.6 4.61 #### #### #### 46.3 ####

85687 Butyl benzyl phthalate (BBP) 0.0014 RBA>0.00001% Phthalates 1.6<LogKow<6.6 4.84 #### #### #### 27.4 13

84753 Di-n-hexyl phthalate (DnHP) 0.00046 RBA>0.00001% Phthalates 1.6<LogKow<6.6 6.57 -1 #### #### #### ####

117817 DEHP, Di(2-ethylhexyl)phthalate 0 RBA<0.00001% Phthalates LogKow>6.6 8.39 #### #### -1 #### ####

117840 Di-n-octylphthalate (DNOP) 0 RBA<0.00001% Phthalates LogKow>6.6 8.54 #### #### #### #### ####

872504 N-Methylpyrrolidone 0 RBA<0.00001% Pyrrolidiones [LogKow<=3.4] -0.11 -1 -1 -1 #### ####

2687947 N-Octyl-2-pyrrolidone 0 RBA<0.00001% Pyrrolidiones [LogKow<=3.4] 3.33 -1 -1 -1 #### ####

51229788 3,5,7-Triazatricyclo (3.3.1.1(superscript 3,7)) decane, 

1-(3-chloro-2-propenyl)-, chloride, (Z)-

0 RBA<0.00001% Quat Amine Functional Group -5.92 -1 -1 -1 #### ####

118558 Phenyl salicylate 0 RBA<0.00001% Salicylates (benzoate) 3.82 -1 -1 -1 #### ####

87183 Salicylic_acid_4-tert-butylphenyl_ester 0 RBA<0.00001% Salicylates (benzoate) 5.73 -1 -1 -1 #### 22.3

119368 Methyl salicylate 0.000071 RBA>0.00001% Salicylates (non-Benzoate) 2.60 -1 -1 -1 #### ####

4707475 Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl 

ester

0.0017 RBA>0.00001% Salicylates (non-Benzoate) 3.22 -1 -1 -1 #### ####

118581 Benzyl salicylate 0.0017 RBA>0.00001% Salicylates (non-Benzoate) 4.31 -1 -1 -1 #### ####

6259763 Hexyl salicylate 0.0057 RBA>0.00001% Salicylates (non-Benzoate) 5.06 -1 -1 -1 #### 37.1

118569 3,3,5-Trimethylcyclohexyl salicylate 0.000062 RBA>0.00001% Salicylates (non-Benzoate) 6.16 -1 -1 -1 #### ####
16

Table H-14. Sorbitans through Triazines

CAS Name Trout 

RBA (%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) 

KOWWIN

NVS_NR_bERNVS_NR_hER

NVS_NR_mERa

Tox21_ERa_BL

A_Agonist_ratio

Tox21_ERa_LU

C_BG1_Agonist

1338438 Sorbitan, mono-(9Z)-9-

octadecenoate

0 RBA<0.00001% Sorbitans [3.1<=LogKow<=5.9] 5.89 -1 -1 -1 ##### #####

10016203 alpha-Cyclodextrin 0 RBA<0.00001% Sugars -7.77 1.5 0.69 14.8 ##### #####

57501 Sucrose 0 RBA<0.00001% Sugars -4.27 -1 -1 -1 ##### #####

29836268 Octyl beta-D-glucopyranoside 0 RBA<0.00001% Sugars 0.93 -1 -1 -1 ##### #####

1934210 FD & C Yellow 5 0 RBA<0.00001% Sulfonic Acid Dyes -6.74 -1 -1 -1 ##### #####

3844459 FD & C blue no. 1 0 RBA<0.00001% Sulfonic Acid Dyes -2.50 -1 -1 -1 ##### #####

2783940 FD&C Yellow 6 0 RBA<0.00001% Sulfonic Acid Dyes -1.18 -1 -1 -1 ##### #####

25956176 Allura red 0 RBA<0.00001% Sulfonic Acid Dyes -0.55 -1 -1 -1 ##### #####

27344418 Disodium 4,4'-bis(2-

sulfostyryl)biphenyl

0 RBA<0.00001% Sulfonic Acid Dyes 2.14 ##### ##### ##### ##### #####

4065456 Sulisobenzone 0 RBA<0.00001% Sulfonic Acid Functional Group 0.37 -1 -1 -1 ##### #####

23386529 Butanedioic acid, sulfo-, 1,4-

dicyclohexyl ester, sodium salt

0 RBA<0.00001% Sulfonic Acid Functional Group 1.76 -1 -1 -1 ##### #####

54965241 Tamoxifen citrate 0.30 RBA>0.00001% Tamoxifen-Like - Exact Match (RBA>0.00001%) -1.67 0.14 0.03 0.26 ##### #####

50419 Clomiphene citrate 0.71 RBA>0.00001% Tamoxifen-Like - Exact Match (RBA>0.00001%) -1.67 0.04 0.01 0.14 ##### #####

10540291 Tamoxifen and its salts 0.34 RBA>0.00001% Tamoxifen-Like - Exact Match (RBA>0.00001%) 6.30 0.06 0.03 0.15 ##### #####

122145 Fenitrothion 0 RBA<0.00001% Thiophosphate Esters Exact Match (RBA<0.00001%) 3.30 ##### ##### -1 ##### #####

56724 Coumaphos 0 RBA<0.00001% Thiophosphate Esters Exact Match (RBA<0.00001%) 4.47 -1 -1 -1 ##### #####

29232937 Pirimiphos-methyl 0.00067 RBA>0.00001% Thiophosphate Esters Exact Match (RBA>0.00001%) 3.44 ##### ##### -1 ##### #####

56382 PARATHION 0.000046 RBA>0.00001% Thiophosphate Esters Exact Match (RBA>0.00001%) 3.73 ##### ##### -1 47.7 #####

100970 Methenamine 0 RBA<0.00001% Triazines [LogKow<=4.1] -4.15 -1 -1 -1 ##### #####

108805 Cyanuric acid 0 RBA<0.00001% Triazines [LogKow<=4.1] 0.61 ##### ##### ##### ##### #####

5915413 Terbuthylazine 0 RBA<0.00001% Triazines [LogKow<=4.1] 3.27 ##### ##### ##### 45.2 2

28159980 Cybutryne 0 RBA<0.00001% Triazines [LogKow<=4.1] 4.07 -1 -1 -1 ##### #####
17

The following tables show the ERES TrSet chemicals by RBA bins as in Table 7.2.2.

Table H-15. RBA Groups: 0.1 ≤ RBA < 1 and RBA > 1*

CAS Name

Trout 

RBA 

(%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) KOWWIN 

NVS_NR_bERNVS_NR_hER

NVS_NR_mERa

Tox21_ERa_BL

A_Agonist_ratio

Tox21_ERa_LU

C_BG1_Agonist

131555 2,2',4,4'-Tetrahydroxybenzophenone 0.108 RBA>0.00001% 2-Hydroxy Benzophenones 2.78 0.4 0.1 0.7 17.3 4.9

54965241 Tamoxifen citrate 0.30 RBA>0.00001% Tamoxifen-Like - Exact Match 

(RBA>0.00001%)

-1.67 0.1 0 0.3 #### ####

1478611 phenol,4,4-(2,2,2-triflouro-1-

(trifluromethyl)ethylidene]

0.33 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 4.47 0.2 0 0 0.9 0.1

10540291 Tamoxifen and its salts 0.34 RBA>0.00001% Tamoxifen-Like - Exact Match 

(RBA>0.00001%)

6.30 0.1 0 0.1 #### ####

2971360 2,2-Bis(4-hydroxyphenyl)-1,1,1-

trichloroethane

0.52 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 4.55 0 0 -1 #### 0.1

50419 Clomiphene citrate 0.71 RBA>0.00001% Tamoxifen-Like - Exact Match 

(RBA>0.00001%)

-1.67 0 0 0.1 #### ####

57910 17alpha-Estradiol 0.98 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 3.94 0 0 0 0 0

446720 Genistein 1.7 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 2.84 0.1 0 0.1 8.18 0.9

58720 Triphenylethylene 3.0 RBA>0.00001% Multi Cyclic Hydrocarbons - Exact Match 

(RBA>0.00001%)

5.49 #### #### 8.6 2.24 0.6

50271 Estriol 4.0 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 2.81 0 0 0 0 0

53167 Estrone 5.0 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 3.43 0 0 0 0 0

57636 17a ethinyl estradiol 88.9 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 4.12 0 0 0 0 0

84162 meso-Hexestrol 93.0 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 5.60 0 0 0 0 0

50282 Estradiol 17B 100.0 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 3.94 0 0 0 0 0

56531 Diethylstilbestrol (DES) 178.9 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 5.64 0 0 0 0 0

In NVS Columns, “-1” indicates chemical was Inactive in 25 μM pre-screen so was not tested further in full dose-response mode. 

#### in a cell indicates chemical was inactive in the assay, 

A green filled cell indicates the chemical was Active in that assay and the number indicates the AC50
18

Table H-16. RBA Group 0.01 ≤ RBA < 0.1

CAS Name

Trout 

RBA 

(%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) KOWWIN NVS_NR_bER NVS_NR_hER NVS_NR_mERa Tox21_ERa_BLA_Agonist_ratioTox21_ERa_LUC_BG1_Agonist 

80057 Bisphenol A 0.011 RBA>0.00001% Mixed Phenol - Exact Match 

(RBA>0.00001%)

3.64 1.8 0.6 2.2 1.32 0.3

1219381 n-octyl 4-hydroxybenzoate 0.012 RBA>0.00001% Parabens (non-benzoate) 5.43 #### 2.6 1.7 44 4.4

27193868 Dodecylphenol 0.012 RBA>0.00001% Alkylphenols 7.46 #### 12 #### 2.75 1

1085127 n-heptyl 4-hydroxybenzoate 0.015 RBA>0.00001% Parabens (non-benzoate) 4.94 #### 3.2 #### 48.2 9.5

104405 4-Nonylphenol 0.016 RBA>0.00001% Alkylphenols 5.99 #### #### #### #### 13

72559 DDE 0.016 RBA>0.00001% DDT-like Exact Match (RBA>0.00001%) 6.00 #### #### #### #### ####

53190 DDD, O,P'- 0.019 RBA>0.00001% DDT-like Exact Match (RBA>0.00001%) 5.87 #### #### 27 7.89 2.7

72548 DDD 0.019 RBA>0.00001% DDT-like Exact Match (RBA>0.00001%) 5.87 #### #### #### #### ####

79947 3,3,5,5-Tetrabromobisphenol A 0.019 RBA>0.00001% Mixed Phenol - Exact Match 

(RBA>0.00001%)

7.20 #### #### #### 46.7 ####

77098 Phenolphthalein 0.020 RBA>0.00001% Mixed Phenol - Exact Match 

(RBA>0.00001%)

3.06 0.7 0.9 0.3 3.39 21

1987504 4-Heptylphenol 0.021 RBA>0.00001% Alkylphenols 5.01 #### #### #### #### 17

50293 DDT 0.023 RBA>0.00001% DDT-like Exact Match (RBA>0.00001%) 6.79 -1 #### -1 #### ####

789026 o,p'-DDT 0.024 RBA>0.00001% DDT-like Exact Match (RBA>0.00001%) 6.79 #### #### #### 4.34 1.5

72435 Methoxychlor 0.028 RBA>0.00001% Mixed Organics - Exact Match 

(RBA>0.00001%)

5.67 #### 6.3 #### 5.62 ####

131566 2,4-Hydroxybenzophenone 0.032 RBA>0.00001% 2-Hydroxy Benzophenones 2.96 4.8 1.2 #### 40.7 7.6

486668 Daidzein 0.036 RBA>0.00001% Mixed Phenol - Exact Match 

(RBA>0.00001%)

2.55 0.6 0.2 0.3 4.64 1.1

77407 Bisphenol B 0.041 RBA>0.00001% Mixed Phenol - Exact Match 

(RBA>0.00001%)

4.13 0.2 0 0 0.32 0.2

84852153 4-Nonylphenol, branched 0.046 RBA>0.00001% Alkylphenols 5.92 17 5.6 8.7 6.25 0.7

In NVS Columns, “-1” indicates chemical was Inactive in 25 μM pre-screen so was not tested further in full dose-response mode. 

#### in a cell indicates chemical was inactive in the assay, 

A green filled cell indicates the chemical was Active in that assay and the number indicates the AC50
19

Table H-17. RBA Group: 0.001 ≤ RBA < 0.01

CAS Name Trout 

RBA (%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) KOWWIN NVS_NR_bER NVS_NR_hER NVS_NR_mERa Tox21_ERa_BLA_Agonist_ratioTox21_ERa_LUC_BG1_Agonist 

131577 2-Hydroxy-4-methoxybenzophenone 0.0010 RBA>0.00001% 2-Hydroxy Benzophenones 3.52 -1 -1 -1 44.2 15

89725 2-(butan-2-yl)phenol 0.0010 RBA>0.00001% Alkylphenols 3.46 -1 #### -1 #### ####

33228443 4-Pentylaniline 0.0011 RBA>0.00001% 4-Alkylanilines [1.6<LogKow<5.1] 3.59 #### #### #### #### ####

115866 Triphenyl phosphate 0.0012 RBA>0.00001% Phosphoric Acid Esters 4.70 -1 #### -1 #### ####

135193 2-Naphthalenol 0.0012 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 2.69 25 3.7 #### 44 ####

127515 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl2-cyclohexen-1-yl)-

0.0012 RBA>0.00001% Mixed Organics - Exact Match 

(RBA>0.00001%)

4.84 -1 -1 -1 #### ####

98544 4-tert-Butylphenol 0.0014 RBA>0.00001% Alkylphenols 3.42 #### #### #### 45.4 ####

85687 Butyl benzyl phthalate (BBP) 0.0014 RBA>0.00001% Phthalates 1.6<LogKow<6.6 4.84 #### #### #### 27.4 13

33228454 4-Hexylaniline 0.0015 RBA>0.00001% 4-Alkylanilines [1.6<LogKow<5.1] 4.08 #### #### #### #### ####

4707475 Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, 

methyl ester

0.0017 RBA>0.00001% Salicylates (non-Benzoate) 3.22 -1 -1 -1 #### ####

118581 Benzyl salicylate 0.0017 RBA>0.00001% Salicylates (non-Benzoate) 4.31 -1 -1 -1 #### ####

84742 Di-n-butylphtalate 0.0017 RBA>0.00001% Phthalates 1.6<LogKow<6.6 4.61 #### #### #### 46.3 ####

101860 Hexyl cinnamic aldehyde 0.0018 RBA>0.00001% Mixed Organics - Exact Match 

(RBA>0.00001%)

4.82 -1 #### -1 49.1 ####

88186 2-tert-Butylphenol 0.0018 RBA>0.00001% Alkylphenols 3.42 -1 #### -1 51.6 ####

99718 4-(butan-2-yl)phenol 0.0018 RBA>0.00001% Alkylphenols 3.46 #### #### #### #### ####

1241947 2-Ethylhexyl diphenyl phosphate 0.0019 RBA>0.00001% Phosphoric Acid Esters 6.30 -1 -1 -1 #### ####

80091 4,4'-Sulfonyldiphenol 0.0020 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 1.65 12 4.2 #### 15.9 1.4

94188 Benzyl 4-hydroxybenzoate 0.0021 RBA>0.00001% Parabens (non-benzoate) 3.70 1.2 0.1 1.1 40.2 14

97563 o-Aminoazotoluene 0.0024 RBA>0.00001% Mixed Organics - Exact Match 

(RBA>0.00001%)

4.29 #### #### #### #### 1.7

94133 Propylparaben 0.0025 RBA>0.00001% Parabens (non-benzoate) 2.98 #### 4.4 #### 46.1 13

32388559 Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8ahexahydro-3,6,8,8-tetramethyl-1H-3a,7-

methanoazulen-5-yl]-

0.0026 RBA>0.00001% Mixed Organics - Exact Match 

(RBA>0.00001%)

5.02 -1 -1 -1 #### ####

96764 2,4-Di-tert-butylphenol 0.0027 RBA>0.00001% Alkylphenols 5.33 -1 -1 -1 #### ####

18979550 hexyloxyphenol 0.0035 RBA>0.00001% Alkoxyphenols [LogKow 1.5 - 4.1] 4.05 #### #### 0.1 #### 7

1638228 4-butylphenol 0.0035 RBA>0.00001% Alkylphenols 3.53 #### #### #### #### ####

94268 Butylparaben 0.0036 RBA>0.00001% Parabens (non-benzoate) 3.47 18 5.9 8.7 43.2 43

80466 4-(2-methylbutan-2-yl)phenol 0.0040 RBA>0.00001% Alkylphenols 3.91 #### #### #### 44.2 6.1

97234 Dichlorophene 0.0041 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 4.34 #### 23 #### #### ####
20

120321 Clorophene 0.0044 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 4.18 25 25 20 #### ####

92693 4-Phenylphenol 0.0048 RBA>0.00001% Phenylphenols [LogKow 2.6 - 4.2] 3.28 #### 12 #### 42.7 11

6259763 Hexyl salicylate 0.0057 RBA>0.00001% Salicylates (non-Benzoate) 5.06 -1 -1 -1 #### 37

599644 4-Cumylphenol 0.0073 RBA>0.00001% Phenylphenols [LogKow 2.6 - 4.2] 4.12 7.5 1.7 16 13.1 0.6

1806264 4-Octylphenol 0.0091 RBA>0.00001% Alkylphenols 5.50 #### #### #### #### 11

140669 4-(1,1,3,3-Tetramethylbutyl)phenol 0.0094 RBA>0.00001% Alkylphenols 5.28 9.6 3.4 15 4.52 0.7

In NVS Columns, “-1” indicates chemical was Inactive in 25 μM pre-screen so was not tested further in full dose-response mode. 

#### in a cell indicates chemical was inactive in the assay, 

A green filled cell indicates the chemical was Active in that assay and the number indicates the AC50
21

Table H-18. RBA Group: 0.0001 ≤ RBA < 0.001

CAS Name Trout RBA 

(%)

PRIORITIZATION 

ER Expert System 

ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) 

KOWWIN

NVS_NR_bERNVS_NR_hER

NVS_NR_mERa

Tox21_ERa_BLA

_Agonist_ratio

Tox21_ERa_LUC

_BG1_Agonist

199584388 1-methoxy-4-tertpentylcyclohexane

0.00010 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 4.61 -1 -1 -1 #### ####

143748 phenol red 0.00010 RBA>0.00001% Phenolsulfonphthaleins 3.21 30 15 21 #### ####

40649363 4-propylcyclohexanone 0.00011 RBA>0.00001% Cyclohexanones (#cycles=1) 2.53 -1 -1 -1 #### ####

5407987 Cyclobutyl phenyl ketone 0.00013 RBA>0.00001% Phenones cyclo-substituted (Exact 

match)RBA>0.00001%

2.96 -1 -1 -1 #### ####

16587716 4-tert-pentylcyclohexanone 0.00013 RBA>0.00001% Cyclohexanones (#cycles=1) 3.40 4.4 0.9 #### #### ####

99763 Methylparaben 0.00015 RBA>0.00001% Parabens (non-benzoate) 2.00 #### #### #### #### ####

15499271 4-n-butylchlorobenzene 0.00016 RBA>0.00001% Alkylchlorobenzenes [LogKow=4.5-5.5] 4.66 -1 -1 -1 #### ####

39905572 hexyl oxyaniline 0.00018 RBA>0.00001% 4-Alkoxyanilines (2.6<LogKow<3.7) 3.61 -1 -1 -1 #### 4.7

79098207 4-Chloropentylbenzene 0.00018 RBA>0.00001% Alkylchlorobenzenes [LogKow=4.5-5.5] 5.15 -1 -1 -1 #### ####

100027 4-Nitrophenol 0.00019 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 1.91 -1 -1 -1 #### ####

4712554 Diphenyl phosphite 0.00020 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.40 #### 5.2 #### #### 16

605458 Diisopropyl phthalate 0.00020 RBA>0.00001% Phthalates 1.6<LogKow<6.6 3.48 -1 -1 -1 #### ####

60168889 Fenarimol 0.00024 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 3.62 #### #### -1 24.8 4.5

70568604 4-n-butylcyclohexanol 0.00024 RBA>0.00001% Alkylcyclohexanols 3.5<LogKow<4.4 3.53 -1 -1 -1 #### ####

119619 Benzophenone 0.00024 RBA>0.00001% Phenones cyclo-substituted (Exact 

match)RBA>0.00001%

3.15 #### #### #### #### 36

2433149 4-Cyclohexylcyclohexanol 0.00030 RBA>0.00001% Alkylcyclohexanols 3.5<LogKow<4.4 4.32 #### #### #### #### ####

123079 4-Ethylphenol 0.00036 RBA>0.00001% Alkylphenols 2.55 #### #### #### #### ####

89838 Thymol 0.00041 RBA>0.00001% Alkylphenols 3.52 -1 #### -1 #### ####

654055013 Morin hydrate 0.00041 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 1.48 #### 3.7 #### #### ####

5349519 4-(2-Methylbutan-2-

yl)cyclohexanol

0.00044 RBA>0.00001% Alkylcyclohexanols 3.5<LogKow<4.4 3.91 16 2.5 #### #### ####

84753 Di-n-hexyl phthalate (DnHP) 0.00046 RBA>0.00001% Phthalates 1.6<LogKow<6.6 6.57 -1 #### #### #### ####

99898 4-Isopropylphenol 0.00049 RBA>0.00001% Alkylphenols 2.97 #### #### #### #### ####

335671 Perfluorooctanoic acid 0.00052 RBA>0.00001% Acyclic_Perfluoro (RBA>0.00001%) 6.30 #### #### -1 #### ####

2321075 Fluorescein 0.00065 RBA>0.00001% Fluoresceins 3.35 14 9.8 22 #### ####

29232937 Pirimiphos-methyl 0.00067 RBA>0.00001% Thiophosphate Esters Exact Match 

(RBA>0.00001%)

3.44 #### #### -1 #### ####

626437 3,5-dichloroaniline 0.00068 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.37 #### #### #### #### ####

90437 o-Phenylphenol 0.00074 RBA>0.00001% Phenylphenols [LogKow 2.6 - 4.2] 3.28 #### #### -1 52.1 ####
22

121006 3-tert-Butyl-4-hydroxyanisole 0.00079 RBA>0.00001% Alkoxyphenols [LogKow 1.5 - 4.1] 3.50 -1 #### -1 #### ####

1948330 tert-Butylhydroquinone 0.00079 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 2.94 -1 #### -1 #### ####

120478 Ethylparaben 0.00080 RBA>0.00001% Parabens (non-benzoate) 2.49 #### 6.7 #### 71 39

1335462 Ionone, methyl- 0.00081 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 4.84 #### #### #### #### ####

121799 Propyl gallate 0.00084 RBA>0.00001% Gallates - Exact Match RBA>0.00001% 1.79 #### #### #### 54.6 ####

645567 4-Propylphenol 0.00088 RBA>0.00001% Alkylphenols 3.04 #### #### #### #### ####

585342 3-tert-butylphenol 0.00091 RBA>0.00001% Alkylphenols 3.42 #### #### #### #### ####

59507 4-Chloro-3-methylphenol 0.00096 RBA>0.00001% Mixed Phenol - Exact Match (RBA>0.00001%) 2.70 #### #### #### 47.3 29

117997 2-Hydroxybenzophenone 0.00097 RBA>0.00001% 2-Hydroxy Benzophenones 3.44 -1 -1 -1 #### ####

In NVS Columns, “-1” indicates chemical was Inactive in 25 μM pre-screen so was not tested further in full dose-response mode. 

#### in a cell indicates chemical was inactive in the assay, 

A green filled cell indicates the chemical was Active in that assay and the number indicates the AC50
23

Table H-19. RBA group: 0.00001 ≤ RBA < 0.0001

CAS Name Trout RBA 

(%)

PRIORITIZATIO

N ER Expert 

System ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) KOWWIN NVS_NR_bER NVS_NR_hER NVS_NR_mERa Tox21_ERa_BLA_Agonist_ratioTox21_ERa_LUC_BG1_Agonist 

106490 para-Toluidine Delisted October 29, 

1999

0.000007 RBA>0.00001% 4-Alkylanilines [1.6<LogKow<5.1] 1.62 -1 -1 -1 #### ####

131113 Dimethyl phthalate 0.000009 RBA>0.00001% Phthalates 1.6<LogKow<6.6 1.66 #### #### -1 #### 24

150765 4-Methoxyphenol 0.000025 RBA>0.00001% Alkoxyphenols [LogKow 1.5 - 4.1] 1.59 #### #### #### #### ####

108952 Phenol 0.000026 RBA>0.00001% Alkylphenols 1.51 -1 #### -1 #### ####

3622842 N-Butylbenzenesulfonamide 0.000029 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.31 #### #### #### #### ####

56382 PARATHION 0.000046 RBA>0.00001% Thiophosphate Esters Exact Match (RBA>0.00001%) 3.73 #### #### -1 47.7 ####

94086 Ethyl 4-methylbenzoate 0.000054 RBA>0.00001% 2-;4-; or2,4,6-Benzoates (Exact Match) 

RBA>0.00001%

2.87 -1 -1 -1 #### ####

87252 Ethyl anthranilate 0.000059 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.76 -1 -1 -1 #### ####

118569 3,3,5-Trimethylcyclohexyl salicylate 0.000062 RBA>0.00001% Salicylates (non-Benzoate) 6.16 -1 -1 -1 #### ####

4344552 butyl oxyaniline 0.000064 RBA>0.00001% 4-Alkoxyanilines (2.6<LogKow<3.7) 2.63 -1 -1 -1 #### ####

84662 Diethyl Phthalate 0.000066 RBA>0.00001% Phthalates 1.6<LogKow<6.6 2.65 -1 -1 -1 #### ####

119368 Methyl salicylate 0.000071 RBA>0.00001% Salicylates (non-Benzoate) 2.60 -1 -1 -1 #### ####

24851987 Methyl 3-oxo-2-pentylcyclopentaneacetate

0.000073 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.98 -1 -1 -1 #### ####

611701 Isobutyrophenone 0.000074 RBA>0.00001% Phenones (Branched) 2.5<LogKow<4.9 2.58 -1 -1 -1 #### ####

104450 4-Propylanisole 0.000075 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 3.60 -1 -1 -1 #### ####

6285058 4-chloropropiophenone 0.000089 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.81 -1 -1 -1 #### ####

106445 CRESOL, PARA- 0.000090 RBA>0.00001% Alkylphenols 2.06 -1 #### -1 #### ####

938169 tert-Butylphenylketone 0.000092 RBA>0.00001% Phenones (Branched) 2.5<LogKow<4.9 3.04 #### #### #### #### ####

97530 Eugenol 0.000092 RBA>0.00001% Alkoxyphenols [LogKow 1.5 - 4.1] 2.73 -1 #### -1 49.8 ####

87241 Ethyl 2-methylbenzoate 0.000097 RBA>0.00001% 2-;4-; or2,4,6-Benzoates (Exact Match) 

RBA>0.00001%

2.87 -1 -1 -1 #### ####

120729 Indole 0.000098 RBA>0.00001% Mixed Organics - Exact Match (RBA>0.00001%) 2.05 -1 -1 -1 #### ####

131179 Diallyl phthalate 0.000099 RBA>0.00001% Phthalates 1.6<LogKow<6.6 3.36 -1 #### -1 #### ####

In NVS Columns, “-1” indicates chemical was Inactive in 25 μM pre-screen so was not tested further in full dose-response mode. 

#### in a cell indicates chemical was inactive in the assay, 

A green filled cell indicates the chemical was Active in that assay and the number indicates the AC50
24

TableH-20. Chemicals Inactive in ERES TrSet, but Active in either BLA (16 chemicals) or BG1 (15 chemicals) in Table7.3.1.

CAS Name

Trout RBA

PRIORITIZATIO

N ER Expert 

System ver. 2

CLASSIFICATION ER Expert System ver. 2

LOG(KOW) KOWWIN NVS_NR_bER NVS_NR_hER NVS_NR_mERa Tox21_ERa_BLA_Agonist_ratioTox21_ERa_LUC_BG1_Agonist 

2396681 4-tert-butylthiophenol 0 RBA<0.00001% 4-Alkylbenzthiols 4.59 0.6 0.23 11.2 #### 33.4

104767 2-Ethyl-1-hexanol 0 RBA<0.00001% Acyclic_Alcohol 2.73 -1 -1 -1 46.8 #####

27176870 4-Dodecylbenzenesulfonic acid 0 RBA<0.00001% Alkylaromatic Sulfonic Acids 4.78 26 19.1 17.8 76.7 #####

94473 phenethyl benzoate 0 RBA<0.00001% Benzoates (non-ring Subst)[3.0<=LogKow<=4.3] 4.03 -1 -1 -1 #### 27.1

2440224 2-(2-Hydroxy-5-methylphenylbenzotriazole 0 RBA<0.00001% Benzotriazole Phenol 3.00 #### ##### 7.54 #### 2.99

69727 Salicylic acid 0 RBA<0.00001% Carboxylic Acid Functional Group 2.24 -1 -1 -1 50.2 #####

1166525 n-dodecyl gallate 0 RBA<0.00001% Gallates - Exact Match RBA<0.00001% 6.21 #### ##### 11.4 57.6 #####

50817 L-Ascorbic acid 0 RBA<0.00001% Hydrofurans [LogKow<=6.1] -1.88 -1 -1 -1 #### 25.7

744456 Diphenyl isophthalate 0 RBA<0.00001% IsoPhtalates (Exact Match) RBA<0.00001% 4.10 #### ##### #### #### 2.97

98920 Nicotinamide 0 RBA<0.00001% Log Kow Cut-off <1.3 -0.45 -1 -1 -1 17.1 #####

1477550 m-Xylylenediamine 0 RBA<0.00001% Log Kow Cut-off <1.3 0.15 #### ##### #### 3.14 #####

123319 Hydroquinone 0 RBA<0.00001% Log Kow Cut-off <1.3 1.03 -1 ##### -1 46 #####

7080504 Chloramine-T trihydrate 0 RBA<0.00001% Miscellaneous Charged Atom 0.84 -1 -1 -1 #### 33.7

643798 1,2-Benzenedicarboxaldehyde 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 1.43 #### ##### #### 23.7 18.7

98730042 Benoxacor 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.38 0.4 0.14 1.92 17.2 #####

5437456 Benzyl bromoacetate 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 2.42 -1 -1 -1 #### 48.7

58184 Methyltestosterone 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.72 #### 4.66 #### 5.08 0.11

27138314 Dipropylene glycol dibenzoate 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 3.88 -1 -1 -1 #### 24.3

95385 1h-imidazole-1-ethanol,_2-(8-heptadecenyl)-

4,5-dihydro0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 7.51 #### ##### #### 50.6 #####

3319311 Tris (2-ethylhexyl) trimellitate 0 RBA<0.00001% Mixed Organics - Exact Match (RBA<0.00001%) 11.59 #### ##### 10.2 #### 31.8

134316 8-Hydroxyquinoline sulfate 0 RBA<0.00001% Mixed Phenol - Exact Match (RBA<0.00001%) -3.79 #### 26.4 #### 42.4 #####

3380345 Triclosan 0 RBA<0.00001% Mixed Phenol - Exact Match (RBA<0.00001%) 4.66 #### ##### #### 35 #####

842079 C.I. Solvent Yellow 14 0 RBA<0.00001% Naphthalenol_Azophenyl 5.51 #### ##### #### #### 21.6

7747355 Oxazolidine E 0 RBA<0.00001% Oxazoles [LogKow<=0.5] 0.40 -1 -1 -1 45.3 #####

17696627 4-Hydroxy benzoic acid phenyl ester 0 RBA<0.00001% Parabens (benzoate) 3.21 #### 0.84 0.19 47.2 33.2

87183 Salicylic_acid_4-tert-butylphenyl_ester 0 RBA<0.00001% Salicylates (benzoate) 5.73 -1 -1 -1 #### 22.3

5915413 Terbuthylazine 0 RBA<0.00001% Triazines [LogKow<=4.1] 3.27 #### ##### #### 45.2 2

In NVS Columns, “-1” indicates chemical was Inactive in 25 μM pre-screen so was not tested further in full dose-response mode. 
25

#### in a cell indicates chemical was inactive in the assay, 

A green filled cell indicates the chemical was Active in that assay and the number indicates the AC50