Registration Dossier
Registration Dossier
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EC number: 267-466-7 | CAS number: 67874-37-7
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Modelling is the only reliable way of generating information on the endpoint given the chemical is both highly insoluble in water and subject to hydrolysis.
Data source
Reference
- Reference Type:
- other: Modelled Data
- Title:
- EPISUITE v4.1 Results for Phenyl Diisotridecyl Phosphite
- Author:
- U.S. EPA
- Year:
- 2 018
- Bibliographic source:
- U.S. EPA EPISUITE
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Modelled data using Kowwin v1.68
- GLP compliance:
- no
- Type of method:
- other: Modelled data
Test material
- Reference substance name:
- Diisotridecyl phenyl phosphite
- EC Number:
- 267-466-7
- EC Name:
- Diisotridecyl phenyl phosphite
- Cas Number:
- 67874-37-7
- Molecular formula:
- C32H59O3P
- IUPAC Name:
- diisotridecyl phenyl phosphite
- Test material form:
- liquid
Constituent 1
- Radiolabelling:
- no
Study design
- Test temperature:
- 25 C
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Value:
- 220 000 000 000 L/kg
- pH:
- 7
- Temp.:
- 25 °C
- Remarks on result:
- not measured/tested
- Type:
- log Koc
- Value:
- 11.34 dimensionless
- pH:
- 7
- Temp.:
- 25 °C
- Remarks on result:
- not measured/tested
Any other information on results incl. tables
KOCWIN Program (v2.00) Results:
==============================
SMILES : P(Oc1ccccc1)(OCCC(C)CC(C)CC(C)CCC)OCCC(C)CC(C)CC(C)CCC
CHEM : Diisotridecyl phenyl phosphite
MOL FOR: C32 H59 O3 P1
MOL WT : 522.80
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 17.227
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 9.5801
Fragment Correction(s) --> NONE : ---
Corrected Log Koc .................................. : 9.5801
Estimated Koc: 3.803e+009 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : 13.07
Non-Corrected Log Koc (0.8679 logKow - 0.0004) ..... : 11.3431
Fragment Correction(s) --> NONE : ---
Corrected Log Koc .................................. : 11.3431
Estimated Koc: 2.203e+011 L/kg <==
Applicant's summary and conclusion
- Conclusions:
- The log Koc was estimated to be 11.34using an estimated Koc:2.2e+011 L/kg from the KOCWIN v2.00 model.
- Executive summary:
The KOCWIN v2.00 model generated the following results for PDiTDP:
KOCWIN Program (v2.00) Results:
==============================
SMILES : P(Oc1ccccc1)(OCCC(C)CC(C)CC(C)CCC)OCCC(C)CC(C)CC(C)CCC
CHEM : Diisotridecyl phenyl phosphite
MOL FOR: C32 H59 O3 P1
MOL WT : 522.80
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 17.227
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 9.5801
Fragment Correction(s) --> NONE : ---
Corrected Log Koc .................................. : 9.5801
Estimated Koc: 3.803e+009 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : 13.07
Non-Corrected Log Koc (0.8679 logKow - 0.0004) ..... : 11.3431
Fragment Correction(s) --> NONE : ---
Corrected Log Koc .................................. : 11.3431
Estimated Koc: 2.203e+011 L/kg <==
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