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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 202-710-8 | CAS number: 98-88-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The study estlmated the octanol/water partition coefficient of benzoyl chloride using the software program KOWWIN. Hence, this study should be considered a Klimisch 2f study: accepted calculation method.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 997
Materials and methods
- Principles of method if other than guideline:
- QSAR
- GLP compliance:
- not specified
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Benzoyl chloride
- EC Number:
- 202-710-8
- EC Name:
- Benzoyl chloride
- Cas Number:
- 98-88-4
- Molecular formula:
- C7H5ClO
- IUPAC Name:
- benzoyl chloride
- Reference substance name:
- Benzoylchloride
- IUPAC Name:
- Benzoylchloride
- Details on test material:
- - Name of test material (as cited in study report): benzoyl chloride
No more data
Constituent 1
Constituent 2
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.44
- Temp.:
- 21 °C
- pH:
- ca. 6
Any other information on results incl. tables
- Log Pow value is an estimated value obtained by the program KOWWIN
No more data available
Applicant's summary and conclusion
- Conclusions:
- The authors estimated an octanol/water partition coefficient of 1.44 log Pow for benzoyl chloride using the KOWWIN program.
- Executive summary:
The study estimates the octanol/water partition coefficient of benzoyl chloride (CAS n° 98-88-4) to be 1.44 log Pow using the KOWWIN program (estimation method described by Meylan and Howard). The calculation method does not take into account interactions of the test substance with water but is generally well recognized as an alternative to calculate log Pow.
As this calculation method is a recommended method by the ECHA to estimate the octanol/water partition coefficient when no experimental data are available. The study shoul be considered as reliable with restrictions, Klimisch 2.f, since the study uses an accepted calculation method to obtain the octanol/water partition coefficient.
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.
