Registration Dossier
Registration Dossier
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EC number: 202-709-2 | CAS number: 98-87-3
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 benzal 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
- Type of method:
- other: KoWWIN calculation method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- α,α-dichlorotoluene
- EC Number:
- 202-709-2
- EC Name:
- α,α-dichlorotoluene
- Cas Number:
- 98-87-3
- Molecular formula:
- C7H6Cl2
- IUPAC Name:
- (dichloromethyl)benzene
- Reference substance name:
- Dichloromethylbenzene
- EC Number:
- 249-854-8
- EC Name:
- Dichloromethylbenzene
- Cas Number:
- 29797-40-8
- IUPAC Name:
- (dichloromethyl)benzene
- Details on test material:
- - Name of test material (as cited in study report): Alpha, alpha-dichlorotoluene
No more data
Constituent 1
Constituent 2
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.97
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- Determination using QSAR model using the KOWWIN program
Any other information on results incl. tables
- Log Pow value is an estimated value obtained by the program KOWWIN v1.67
No more data available
Applicant's summary and conclusion
- Conclusions:
- The authors estimated an octanol/water partition coefficient of 2.97 log Pow for benzalchloride using the KOWWIN program (v1.67).
- Executive summary:
The study estimates the logarithm of octanol/water partition coefficient (log Pow) of benzal chloride (CAS n° 98 -87 -3) to be 2.97 using the KOWWIN program v1.67 (estimation method described by Meylan and Howard).
The study is considered as reliable with restrictions since the study uses an accepted calculation method.
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