Registration Dossier
Registration Dossier
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EC number: 235-841-4 | CAS number: 13003-12-8
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:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- It is not possible to measure the absorption and partition coefficient of this substance using standard methods. A calcuation method, using an accepted model, was used instead.
Data source
Reference
- Reference Type:
- other: Modelled Data
- Title:
- EPISUITE 4.1 Results for Butylidenebis [2-Tert-Butyl-5-Methyl-P-Phenylene]-P,P,P`,P`-Tetratridecylbis(phosphine)
- Author:
- U.S. EPA
- Year:
- 2 017
- Bibliographic source:
- U.S. EPA
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Modelled data using acceptable model.
- GLP compliance:
- no
- Type of method:
- other: modelled data
- Media:
- other: modelled data
Test material
- Reference substance name:
- Butylidenebis[2-tert-butyl-5-methyl-p-phenylene]-P,P,P',P'-tetratridecylbis(phosphine)
- EC Number:
- 235-841-4
- EC Name:
- Butylidenebis[2-tert-butyl-5-methyl-p-phenylene]-P,P,P',P'-tetratridecylbis(phosphine)
- Cas Number:
- 13003-12-8
- Molecular formula:
- C78H144O6P2
- IUPAC Name:
- 4-[2-(4-{[bis(tridecyloxy)phosphanyl]oxy}-5-tert-butyl-2-methylphenyl)pentyl]-5-methyl-2-(propan-2-yl)phenyl ditridecyl phosphite
- Test material form:
- liquid
Constituent 1
- Radiolabelling:
- no
Study design
- Test temperature:
- 25 degreed C
Batch equilibrium or other method
- Analytical monitoring:
- no
Results and discussion
Adsorption coefficient
- Type:
- log Koc
- Value:
- 99 119 999 999 999 992 367 037 808 640 dimensionless
- pH:
- 7
- Temp.:
- 25 °C
- Remarks on result:
- not measured/tested
Results: Batch equilibrium or other method
- Transformation products:
- not measured
Any other information on results incl. tables
KOCWIN Program (v2.00) Results:
==============================
SMILES : C(C)CCCCCCCCCCCOP(OCCCCCCCCCCC(C)C)Oc1cc(c(cc1C(C)C)CC(CCC)c2cc(c(cc2
C)OP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C)C(C)(C)C)C
CHEM :
MOL FOR: C78 H144 O6 P2
MOL WT : 1239.96
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 41.458
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 22.2118
Fragment Correction(s) --> NONE : ---
Corrected Log Koc .................................. : 22.2118
Estimated Koc: 1e+010 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : 33.41
Non-Corrected Log Koc (0.8679 logKow - 0.0004) ..... : 28.9961
Fragment Correction(s) --> NONE : ---
Corrected Log Koc .................................. : 28.9961
Estimated Koc: 9.912e+028 L/kg <===========
Applicant's summary and conclusion
- Conclusions:
- Using the KOCWIN program in EPISUITE, the absorption coefficient was estimated to 9.912e+028 L/kg
- Executive summary:
The KOCWIN Program (v2.00) Results are as follows:
==============================
SMILES : C(C)CCCCCCCCCCCOP(OCCCCCCCCCCC(C)C)Oc1cc(c(cc1C(C)C)CC(CCC)c2cc(c(cc2
C)OP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C)C(C)(C)C)C
CHEM :
MOL FOR: C78 H144 O6 P2
MOL WT : 1239.96
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 41.458
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 22.2118
Fragment Correction(s) --> NONE : ---
Corrected Log Koc .................................. : 22.2118
Estimated Koc: 1e+010 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : 33.41
Non-Corrected Log Koc (0.8679 logKow - 0.0004) ..... : 28.9961
Fragment Correction(s) --> NONE : ---
Corrected Log Koc .................................. : 28.9961
Estimated Koc: 9.912e+028 L/kg <===========
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