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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

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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:
2010
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

Constituent 1
Chemical structure
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

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.