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

B

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

Restriction of specific regulatory purposes

Confidentiality

Name	2,4-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

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 strictly prohibited.

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Substance: 2,4-Bis(l-methyl-l-phenyIethyl)-6-((2-nitrophenyl)azo)phenol/ 2J4-Bis(l-melhyl-l-phenylethyl)-6-((2-nitrophenyl)azo)phenol / 70693-50-4 /

Substance: 2T4-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-phenylethyl)-6-((2-nitrophenyl)azo)phenol

Reference substance

2.4-Bisn-methvl-1-phenvlethvh-6-^2-nitroDhenvhazo)phenol / 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

1.9 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

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Substance: 2,4-Bis(l-methyl-l-phenylethyl)-6-((2-nitrophenyl)azo)phenol / 2,4-Bis(l-methyl-l-phcnylethyl)-6-((2-nilrophenyl)azo)phenol! 70693-50-41\

4.8 Water solubility

Endpoint study record: Water sotubility.001

UUID	IUC5-9a591138-64bf-462d-a0ca-a7f6f29116b0

Dossier UUID	0

Date	2014-04-23 14:36:04 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

Principles of method if other than guideline

WSKOW v1.42

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-phenylethyl)-6-((2-nitrophenyl)azo)phenol

MOL FOR: C30 H29 N3 03

MOLWT: 479.58

Results and discussions

Water solubility

0.000004352 mg/L

Temp. 25 "C

Any other information on results incl. tables

Water Sol from Kow (WSKOW vl.42) Results:

Water Sol: 4.352e-006 mg/L

70693-50-4 IUCLlD.html[9/3/2015 1:44:28 PM]
Substance: 2,4-Dis(l-methyl-l-phenylethyl)-6-((2-nitrophenyl)azo)phenol / 2)4-Bis(l-raethyl-l-pheiiy)ethyl)-6-((2-nitrophenyl)azo)phenol / 70693-50-4 /

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

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

MOL FOR: C30 H2 9 N3 03

MOL WT : 479.58

WSKOW vl.42 Results 	

Log Kow (estimated) : 9.95

Log Kow (experimental) : not available from database

Log Kow used by Water solubility estimates: 9.95

Equation Used to Make Water Sol estimate:

Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction

(used when Melting Point NOT available)

Correction(s) :	Value

Azo (-N=N-)	-0.432

Phenol	0.580

Log Water Solubility (in moles/L) : -11.042

Water Solubility at 25 deg C (mg/L): 4.352e-006

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