Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 206-126-4 | CAS number: 302-72-7
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2018-04-18
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPIWIN v4.1
2. MODEL (incl. version number)
KOWWIN v1.68
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CC(N)C(O)=O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
please refer to the QMRF under 'Attached justification'
5. APPLICABILITY DOMAIN
please refer to the QPRF under 'Attached justification'
- Guideline:
- other: ECHA Guidance R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version:
EPIWIN v4.1
- Model(s) used: KOWWIN v1.68
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - Specific details on test material used for the study:
- CC(N)C(O)=O
- Type:
- log Pow
- Partition coefficient:
- -2.99
- Temp.:
- 25 °C
- Remarks on result:
- other: pH value not specified in QSAR model
- Conclusions:
- logKow = -2.99
- Executive summary:
The logKow of DL-Alanine (CAS 307 -72 -7) was predicted with the QSAR model KOWWIN v1.68. It was predicted to be -2.99.
- Endpoint:
- partition coefficient
- Type of information:
- other: data from database
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- according to guideline
- Guideline:
- other: no data
- Deviations:
- not specified
- Principles of method if other than guideline:
- The information does not come from a test report and the minimum fields cannot be filled in.
- GLP compliance:
- not specified
- Type of method:
- other: not specified
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.85
- Remarks on result:
- other: no data for temperature or pH
- Conclusions:
- Log Kow = -2.85
- Executive summary:
According to the LOGKOW database from Sangster J. (a databank of evaluated octanol-water partition coefficients (Log P), available from, as of Sept 5, 2006) the log Kow of DL-Alanine is -2.85.
No further details are reported on the determination but the LogKow Database is maintained and updated regularly by Dr. James Sangster, an internationally recognized authority in the field. A LogKow value is only as reliable as the accuracy of its measurement and publications included in the Database are of high quality and accuracy.
Referenceopen allclose all
The substance falls within the molecular weight range of the training set. In addition, there are no structural features in the substance not covered by substances of the training set. Therefore, the substance lies within the applicability domain of the model.
Description of key information
According to the LOGKOW database from Sangster J. (a databank of evaluated octanol-water partition coefficients (Log P), available from, as of Sept 5, 2006) the log Kow of DL-Alanine is -2.85. A temperature was not stated, but the experimental derived value is supported by QSAR:
The logKow of DL-Alanine (CAS 307 -72 -7) was predicted with the QSAR model KOWWIN v1.68. It was predicted to be -2.99.
For CSA the experimental value of -2.85 for partition coefficient is chosen.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.85
- at the temperature of:
- 25 °C
Additional information
Unfortunately no temperature is given for Log Kow in database, therefore for CSR 25 °C as room conditions was chosen.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
