Registration Dossier
Registration Dossier
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EC number: 922-551-4 | CAS number: 1187440-66-9
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The objective of the test was to determine the partition coefficient of the test item by calculation.The methods given in the Commission Directive 92/69/EEC - A8 method (1992) are not usable when the substance shows tension-active properties.
The determination of the n-octanol/water partition coefficient of the constituents of
REACTION PRODUCTS BETWEEN C20/22 (even numbered) ALCOHOL AND
PHOSPHORIC ANHYDRIDE was realized with QSPR model adapted specifically from test guideline: OECD 107 or 123.
This QSPR model has been validated as a QSAR model to be compliant with the OECD recommendations for QSAR modeling (OECD, 2004) in as much as this is possible for this model and predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following the Guideline for Testing of Chemicals No. 107 or 123 (OECD, 1995, 2006).
The results below are the log KOW values for the constituents of the test item, a UVCB substance, anticipated during to a study following the OECD Guideline No. 107 or 123. The log KOW are range from 9.5 to 22 as follows:
Constituents log KOW at 25°C
1-Eicosanol, dihydrogen phosphate 9.5
1-Docosanol, dihydrogen phosphate 11
1-Eicosanol, hydrogen phosphate 20
1-Docosanol, hydrogen phosphate 22
1-Eicosanol 9.7
1-Docosanol 11
Key value for chemical safety assessment
Additional information
The results are also given as the log D for three different pHs (4; 7; 10) to take into account the concentration of the ionised form.
| Constituents | log D at 25°C | log D at 25°C | log D at 25°C |
| pH 4 | pH 7 | pH 10 | |
| 1-Eicosanol, dihydrogen phosphate | 7.2 | 4.2 | 1.2 |
| 1-Docosanol, dihydrogen phosphate | 8.3 | 5.3 | 2.3 |
| 1-Eicosanol, hydrogen phosphate | 18 | 15 | 12 |
| 1-Docosanol, hydrogen phosphate | 20 | 17 | 14 |
| 1-Eicosanol* | - | - | - |
| 1-Docosanol* | - | - | - |
*no ionized form is expected for this compound between pH from 0 to 14.
The partition coefficient of the registered substance was determined by QSAR following OECD 2004 Principles for the validation, for regulatory purposes, of (Quantitative) Structure Activity-Relationship Models.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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