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EC number: 202-908-4 | CAS number: 101-02-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Well accepted model result. It is not possible to test TPP for octanol-water coefficient due to its rapid hydrolysis.
Data source
Reference
- Reference Type:
- other: Model Results
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
- Principles of method if other than guideline:
- Model results using KOWWIN v 1.67.
- GLP compliance:
- no
- Type of method:
- other: Model
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Triphenyl phosphite
- EC Number:
- 202-908-4
- EC Name:
- Triphenyl phosphite
- Cas Number:
- 101-02-0
- Molecular formula:
- C18H15O3P
- IUPAC Name:
- triphenyl phosphite
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 6.62
- Temp.:
- 25 °C
- Remarks on result:
- other: calculation
Any other information on results incl. tables
Log Kow(version 1.67 estimate): 6.62
SMILES : O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3
CHEM : triphenyl phosphite
MOL FOR: C18 H15 O3 P1
MOL WT : 310.29
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 18 | Aromatic Carbon | 0.2940 | 5.2920
Frag | 3 | -O-P [aromatic attach] | 0.5345 | 1.6035
Frag | 1 | >P- [phosphine type] |-0.5000 | -0.5000
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
Log Kow = 6.6245
Applicant's summary and conclusion
- Conclusions:
- The estimated log Kow for TPP is 6.62 using KOWWIN (v. 1.67). It is not possible to test TPP for this endpoint due to its rapid hydrolysis.
- Executive summary:
The estimated log Kow for TPP is 6.62 using KOWWIN (v. 1.67). It is not possible to test TPP for this endpoint due to its rapid hydrolysis.
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