Substance: 2,4-Bis(l-methyl-l-phenylethyl)-6-((2-nitrophenyl)azo)phenol/ 2,4-Bis(l-methyl-l-phenylethyl)-6-((2-nitrophcnyl)azo)phenol / 70693-50-4 /



# ¦

Printing Date 2014-04-24 14:48:45 EDT Restriction of specific regulatory purposes
Confidentiality

Name	2p4-Bis(1-methyl-1-phenylethyl)-6-((2-nitrophenyl)azo)phenol

owner



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70693-50-4 IUCLID.html[9/3/2015 1:44:28 PM]Substance: 2J4-Bis(l-methyl-l-phenylethyl)-6-((2-nilrophenyl)azo)phenol / 2,4-Bis(l-methyl-l-phenylethyl)-6-((2-nilrophenyl)azo)phcnol / 70693-50-4 /



# Substance: 2.4-Bis(1-methyl-1-phenylethyl)-6-((2- 

# nitrophenyl)azo)phenol
UUID	IUC5-9e5d0333-7efO-45ef-aOaO-c5fcbb1fcf6O 

### Dossier UUID 0 Author 

### Date	2014-04-23 12:05:26 EDT Remarks 

# 0.1 Templates 0.2 Categories 0.3 Mixtures 1	General Information 

# 1.1	Identification Substance identification Chemical name 2p4-Bis(1-melhyi-1-phenylethyl)-6-((2-nitrophenyl)azo)phenol 

## Reference substance 2.4-Bisn-methvl-1-phenvlethvl)-6-((2-nitroDhenvflazotohenol / 70693-50-4 EC number EC name 274-768-2 2,4-bis(1-methyl-1-phenylethyl)-6-[(2-nitrophenyl)azo]phenol CAS number CAS name 70693-50-4 IUPAC name 

# 1.2	Composition 1.3	Identifiers 1.4	Analytical information 1.5	Joint submission 1.6	Sponsors 

# 1.7	Suppliers 1.8	Recipients 1.9	Product and process oriented research and development 

# 2	Classification & Labelling and FBI assessment 2.1	GHS 2.2	DSD - DPP 3	Manufacture, use and exposure 

# 3.1	Technological process Technological process 

# 3.2	Estimated quantities 3.3	Sites

70693-50-4 IUCLID.htnil[9/3/2015 1:44:28 PM]Substance: 2,4-Bis(l-methyl-l-phenylethyl)-6-((2-nitrophenyl)azo)phenol / 2,4-Bis(l-mcthyl-l-phenylethyl)-6-((2-nUrophenyl)azo)phenol / 70693-50-4 /|



# 5 Environmental fate and pathways 5.2 Biodegradation 5.2.1 Biodegradation in water: screening tests 

# Endpoint study record: Biodegradation in water: screening tests.001
UUID	IUC5-4f6ee141-87c9-411e-839e-807ffc419404 Dossier UUID	0 

### Author Date	2014-04-23 14:36:59 EDT Remarks 

# Administrative Data Purpose flag	key study Study result type	estimated by calculation Reliability	2 (reliable with restrictions) Rationale for reliability incl. deficiencies Accepted modeling approach 

## Data source Reference
Reference 

### type Author Year 

### Title Bibliographic source Testing

laboratoryReport

no. Owner companyCompany

study
no. Report

date

other: model Syracuse Research

Corporation and Office of Pollution Prevention and Toxics, US Environmental Protection Agency. 

### 2014 EPI Suite v4.11 The Estimation Programs 

### Interface (EPI) Suite v4.11 

# Materials and methods Test type
other: estimation 

### Principles of method if other than guideline BIOWIN (v4.10) GLP compliance

no 

## Test materials Identity of test material same as for substance defined in section 1 (if not read-across)
yes 

### Details on test material SMILES : N(=0)(=0)c3ccccc3N=Nc4c(0)c(cc(C(c2ccccc2)(C)C)c4)C(c1 ccccc1)(C)C CHEM: 2,4-Bis(1-methyl-1-phenylethyl)-6-((2-nitrophenyl)azo)phenol 

### MOL FOR: C30 H29 N3 03 MOL WT: 479.58 

## Results and discussions Details on results Biowinl (Linear Model Prediction): Does Not Biodegrade Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast



### 70693-50-4 TUCLID.htral[9/3/2015 1:44:28 PM]Substance: 2,4-Bis(l-mcthyl-l-phenylethyl)-6-((2-mtrophenyl)azo)phenol / 2,4-Bis(l-methyl-l-phenyleLhyI)-6-((2-nitrophenyl)azo)phenol / 70693-50-4 /

Biowin3 (Ultimate Biodegradation Timeframe): Recalcitrant Biowin4 (Primary Biodegradation Timeframe): Weeks-Months BiowinS (MITI Linear Model Prediction): Does Not Biodegrade Fast Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast Ready Biodegradability Prediction: NO 

## BODS I COD results Any other information on results incl. tables BIOWIN (v4.10) Program Results: Biowinl (Linear Model Prediction) : Does Not Biodegrade Fast Biowin2	(Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3	(Ultimate Biodegradation Timeframe): Recalcitrant Biowin4	(Primary Biodegradation Timeframe): Weeks-Months BiowinS	(MITI Linear Model Prediction) : Does Not Biodegrade Fast Biowin6	(MITI Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin7	(Anaerobic Model Prediction): Does Not Biodegrade Fast Ready Biodegradability Prediction: NO



### TYPE NUM Biowinl FRAGMENT DESCRIPTION COEFF | VALUE Frag 

### 1 Aromatic alcohol [-OH] | 0.1158 0.1158 Frag 

### 2 Carbon with 4 single bonds & no hydrogens | -0.1839 | - Frag 

### 1 Aromatic nitro [-N02] | -0.3050 | -0.3050 Frag 

### 1 Azo group [-N=N-] | -0.2418 | -0.2418 Frag 

### 2 Unsubstituted phenyl group 

### {C6H5-) | 0.1281 | 0.2562 MolWt 'k Molecular Weight Parameter | | -0.2283 Const * Equation Constant 

### | | 0.7475 0.3679



### RESULT | Biowinl (Linear Biodeg Probability) I | -0.0235



### TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE

1	| Aromatic alcohol [-OH]	I 0.908 6 | 0.900 6 2	| Carbon with 4 single bonds	& no hydrogens | -1.7232 | -3.4464 1 | Aromatic nitro [-N02] | -2.5086 | -2.5086 1	| Azo group [-N=N-]	| -8.2194 | -8.2194 2	| Unsubstituted phenyl group	(C6H5-) | 1.7991 | 3.5982 * | Molecular Weight Parameter I	I -6.8101 Frag Frag Frag Frag Frag 

### MolWt RESULT | Biowin2 (Non-Linear Biodeg Probability) 0.0000
A Probability Greater Than or Equal to 0.5 indicates —> Biodegrades Fast A Probability Less Than 0.5 indicates —> Does NOT Biodegrade Fast

+	+	+	+ 

### TYPE | NUM | BiowinS FRAGMENT DESCRIPTION	| COEFF | VALUE

+	+	+	+ Frag | 1 I Aromatic alcohol [-OH]	I 0.0564 | 0.0564 Frag | 2 | Carbon with 4 single bonds & no hydrogens | -0.2121 [ -0.4242 Frag | 1 | Aromatic nitro [-N02]	[ -0.1696 | -0.1696 Frag | 1 | Azo group [-N=N-1	I -0.3004 | -0.3004



### 70693-50-4 IUCLID.html[9/3/2015 1:44:28 PM]Substance: 2,4-Bis(l-methyl-l-phenylethyl)-6-((2-nitrophenyl)azo)phenol/2,4-Bis(l-methyl-l-phenylethyl)-6-((2-nitiophenyl)azo)phenol/ 70693-50-4

Frag | 2 | Unsubstituted phenyl group (C6H5-) MolWt| * | Molecular Weight Parameter Const| * | Equation Constant	| 

### | 0.0220 | 0.0440 I -1.0598 3.1992 RESULT | BiowinS (Survey Model - Ultimate Biodeg) I 1.3456

-+	+- 

### NUM | - + 

### VALUE TYPE Biowin4 FRAGMENT DESCRIPTION COEFF Frag 

### 1 Aromatic alcohol [-OH] 

### I 0.0397 0.0397 Frag 

### 2 Carbon with 4 single bonds & no hydrogens | -0.1534 | -0.3069 Frag 

### 1 Aromatic nitro [-N02] | -0.1084 I -0.1084 Frag 

### 1 Azo group [-N=N-] | -0.0528 | -0.0528 Frag 

### 2 Unsubstituted phenyl group 

### (C6H5-) I 0 0049 | 0.0098 MolWt 'k Molecular Weight Parameter 

## 1 1 -0.6919 Const 'k Equation Constant 

### 1 1 3.8

### 477
=+= RESULT | Biowin4 (Survey Model - Primary Biodeg) ============+==================================== 2.7372

Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks (Primary & Ultimate) 2.00 -> months 1.00 -> longer

-+- -+- 

### TYPE NUM BiowinS FRAGMENT DESCRIPTION | COEFF | VALUE

-+- -+- Frag Frag Frag Frag Frag Frag 

### MolWt Const 1	| Aromatic alcohol [-0H]	| 0.0642 | 0.0642

2	| Carbon with 4 single bonds	& no hydrogens | 0.067 6 1	| Aromatic nitro [-N02]	| -0.1876 | -0.1876 1	| Azo group [-N=N-]	I -0.0459 | -0.0459 16 | Aromatic-H	| 0.0082 | 0.1315 

### 4	| Methyl [-CH3]	I 0.0004 | 0.0016 *	I Molecular Weight Parameter	|	| -1.4268 *	| Equation Constant	|	I 0.7121 0.1352



### RESULT | BiowinS (MITI Linear Biodeg Probability) | | -0.6155



### TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF| VALUE Frag |

### 1 1 Aromatic alcohol [-OH] 

### | 0.4884 | 0.4884 Frag |

### 2 I Carbon with 4 single bonds & no hydrogens | 0.3990 

### Frag |

### 1 1 Aromatic nitro [-N02] | -2.4035 I -2.4035 

### Frag |

### 1 1 Azo group [-N=N-] 1-10.6129 1-10.6129 

### Frag | 16 | Aromatic-H 

### I 0.1201 1 1.9223 Frag |

### 4 1Methyl [-CH3] | 0.0194 | 0.0777 MolWt| * 1 Molecular Weight Parameter | 1-13.8450 0.7980

RESULT |Biowin6 (MITI Non-Linear Biodeg Probability) 0.0000
A Probability Greater Than or Equal to 0.5 indicates —> Readily Degradable A Probability Less Than 0.5 indicates —> NOT Readily Degradable

-1-	+ 

### TYPE I NUM I Biowin7 FRAGMENT DESCRIPTION -+- 

### COEFF I VALUE

70693-50-4 IUCLID.htinl[9/3/2015 1:44:28 PM]Substance: 2,4-Bis(l-i •methyi-l-phenylethyl)-6-((2-mtrophenyl)azo)phenol / 2,4-Bis(l-melhyl-l-phenylethyl)-6-((2-mtrophenyl)azo)phenol / 70693-50-4 / 

### Frag | 

### 1 1 Aromatic alcohol [-0H] 

### Frag |

### 2 1 Carbon with 4 single bonds 

### Frag | 

### 1 1 Aromatic nitro [-N02] 

### Frag | 

### 1 1 Azo group [-N=N-] 

### Frag |

### 2 1 Unsubstituted phenyl group 

### Frag | 

### 16 | Aromatic-H 

### Frag |

### 4 1 Methyl [-CH3] Const| 

### * 1 Equation Constant 

### | 0.0807 | 0.0807 & no hydrogens | -0.3342 | -0.6685 | -0.2141 | -0.2141 

### | 0.0000 | 0.0000 (C6H5-) | 0.2182 | 0.4364 | -0.0954 | -1.5269 I -0.0796 | -0.3183 

### I	| 0.8361 RESULT | Biowin7 {Anaerobic Linear Biodeg Prob) |	| -1.3745 ============+============================================+=========+=====: A Probability Greater Than or Equal to 0.5 indicates —> Biodegrades Fast A Probability Less Than 0.5 indicates —> Does NOT Biodegrade Fast Ready Biodegradability Prediction: (YES or NO) Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks" AND the BiowinS (MITI linear model) probability is >= 0.5, then the prediction is YES (readily biodegradable) . If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data (see Help). BiowinS and 6 also predict ready biodegradability, but for degradation in the OECD301C test only; using data from the Chemicals Evaluation and Research Institute Japan (CERIJ) database.



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