Substance: 2,4-Bis(l-methyl-1-phen.ylethyl)-6-((2-nitrophenyl)azo)pheno] / 2,4-Bis(l-inethyl-l-phenylethyl)-6-((2-nitrophenyl)a2o)phenol / 70693-50-4 /

Printing Date 2014-04-24 14:48:45 EDT

Restriction of specific regulatory purposes

Confidentiality

Name	2l4-Bis(1-methyl-1-phenylethyl)-6-((2-nilrophenyl)azo)phenol

owner

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

property 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 stricdy prohibited.

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-nilrophenyl)azo)pheiiol / 70693-50-4 i

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

nitrophenyl)azo)phenol

UUID	Iuc5-9e5d0333-7ef0-45ef-a0a0-c5fcbb1fcf60

Dossier UUID 0

Author

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

Remarks

0	Related Information

0.1 Templates

0.2 Categories

0.3 Mixtures

1	General Information

1.1 Identification

Substance identification

Chemical name 2I4-Bis(1-methyl-1-phenylelhyl)-6-((2-nitrophenyl)azo)phenol

Reference substance

2.4-Bis(1-methvl-1-Dhenvlethvn-6-«2-nitrophenvltezotohenol/ 70693-50-4

EC number EC name

274-768-2 2,4-bis(1-methyl-1-phenylethyl)-6-[(2-nilrophenyl)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 PBT assessment

2.1 GHS

2	2 DSD - DPP

3	Manufacture, use and exposure

3.1	Technological process

Technological process

3.2	Estimated quantities

70693-50-4 IUCLID.html[9/3/2015 1:44:28 PM]
Substance: 2,4-Bis(l-raethyl-l-phenylethyl)-6-((2-nitrophenyl)azo)phenol / 2,4-Bis(l-methyJ-l-pheny]ethyl)-6-((2-nitrophenyl)azo)phenol / 70693-50-4 !\

4.7 Partition coefficient

Endpoint study record: Partition coefficient.001

UUID	IUC5-Obf17777-d1d4-4569-b83b-52e81092289d

Dossier UUID 0

Author

Date	2014-04-23 14:35:21 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

Partition coefficient type

octanol-water

Type of method

other: estimation

Principles of method if other than guideline

KOVWVIN Program (v1.68)

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(c1ccccc1)(C)C

CHEM : 2,4-Bis(1-methyl-1-phenylelhyl)-6-((2-nitrophenyl)azo)phenol

MOL FOR: C30 H29 N3 03

MOL WT: 479.58

Results and discussions

Partition coefficient

Type Partition coefficient Temp. PH Remarks

log Pow 9.95 25 0C

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

Any other information on results incl. tables

KOWWIN Program {vl.68) Results:

Log Kow(version 1.68 estimate): 9.95

SMILES : N(=0)(=0)c3ccccc3N=Nc4c(0)c{cc(C(c2ccccc2)(C)C)c4)C(clcccccl){C)C

CHEM : 2,4-Bis(1-methyl-1-phenylethyl)-6-{(2-nitrophenyl)azo)phenol

MOL FOR: C30 H2 9 N3 03

MOL WT : 479.58

+	+	+	+	

TYPE | NUM | L0GK0W FRAGMENT DESCRIPTION	| COEFF | VALUE

+	+	+	+	

Frag I 4 ] -CH3 [aliphatic carbon]	I 0.5473 | 2.1892

Frag | 24 | Aromatic Carbon	I 0.2940 | 7.0560

Frag | 1 ( -OH [hydroxy, aromatic attach] |-0.4802 | -0.4802

Frag | 1 | -N02 [nitro, aromatic attach]	|-0.1823 I -0.1823

Frag | 2 j -tert Carbon [3 or more carbon attach] | 0.2676 | 0.5352

Frag | 1 | -N=N- [Azo]	I 0.3541 | 0.3541

Factor | 1 | Ring reaction ->-N02 with -OH/amino/azo | 0.5777 | 0.5777

Factor| 2 | >C< (aliphatic), 2 phenyl attach correc |-0.5158 | -1.0316

Factor | 1 | Ring reaction -> -OH ortho to Azo | 0.7000**1 0.7000

Const ! | Equation Constant	I	| 0.2290

+	+	+	+	

NOTE | | An estimated coefficient (**) used	I

+	+	+	+	

Log Kow = 9.9471

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