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.

70693-50-4 IUCLID.html[9/3/2015 1:44:28 PM]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

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-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

laboratoryReport

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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