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

This document is directed to USEPA pursuant the Toxic Substances Control Act (TSCA). This document is the

properly of the sponsor and may be used only for that purpose intended by the sponsor and as authorized

under applicable law. Every other or additional use, exploitation, reproduction, publication or submission to

other parties requires the written permission of the sponsor, except as otherwise required by applicable law (e.g.,

TSCA). The use of these studies/documents for regulatory, registration or other commercial purposes

[including but not limited to Registration, Evaluation, Authorization and Restriction of Chemical Substances

(REACH)], without the express written permission of the sponsor is unauthorized and strictly prohibited.

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

laboratory

Report

no.

Owner

company

Company

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 |

- +	

TYPE Biowin4 FRAGMENT DESCRIPTION COEFF VALUE

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 3.8477

=+=

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 1 Methyl [-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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