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

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 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



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