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EC number: 203-628-5 | CAS number: 108-90-7
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Remarks:
- Adopted according to BUA report (public available peer reviewed source)
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Public available peer reviewed source. In order to determine the octanol-water coefficient the calculation/correlation methods (indirect methods) have been used.
- GLP compliance:
- not specified
- Type of method:
- other: calculation/correlation methods
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- ca. 2.855
- Remarks on result:
- other: Temp expected ca 20-25°C, and pH unspecified.
- Type:
- log Pow
- Partition coefficient:
- ca. 2.81
- Remarks on result:
- other: Temp expected ca 20-25°C, and pH unspecified.
- Type:
- log Pow
- Partition coefficient:
- ca. 2.83
- Remarks on result:
- other: Temp expected ca 20-25°C, and pH unspecified.
- Type:
- log Pow
- Partition coefficient:
- ca. 2.84
- Remarks on result:
- other: Temp expected ca 20-25°C, and pH unspecified.
- Type:
- log Pow
- Partition coefficient:
- ca. 2.86
- Remarks on result:
- other: Temp expected ca 20-25°C, and pH unspecified.
- Type:
- log Pow
- Partition coefficient:
- ca. 2.8
- Remarks on result:
- other: Temp expected ca 20-25°C, and pH unspecified.
- Type:
- log Pow
- Partition coefficient:
- ca. 2.46
- Remarks on result:
- other: Temp expected ca 20-25°C, and pH unspecified.
- Executive summary:
BUA report 54, 1990
Chlorobenzene n-Octanol/water partition coefficients , log Pow are listed below:
-calculated according to Leo 2.855
-calculated according to Rekker 2.81
-calculated according to Nys & Rekker 2.83
-calculated (THOR database) 2.84
-calculated according to Leo 2.86
- calculated according to Leathy 2.80
- shaking method 2.84
-shaking method 2.46
-shaking method at 20°C 2.84
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Remarks:
- Adopted according to BUA report (public available peer reviewed source)
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Public available peer reviewed source. In order to determine octanol-water partition coefficient, experimental methods (direct methods: shaking, column chromatographic method and HPLC, slow stirring method) have been used.
- GLP compliance:
- not specified
- Type of method:
- other: direct methods: shaking, column chromatographic method and HPLC, slow stirring method
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- ca. 2.98
- Temp.:
- 25 °C
- Remarks on result:
- other: pH unspecified.
- Type:
- log Pow
- Partition coefficient:
- ca. 3
- Remarks on result:
- other: Temp expected ca 20-25°C, and pH unspecified.
- Type:
- log Pow
- Partition coefficient:
- ca. 2.898
- Remarks on result:
- other: Temp expected ca 20-25°C, and pH unspecified.
- Type:
- log Pow
- Partition coefficient:
- ca. 3.79
- Remarks on result:
- other: Temp expected ca 20-25°C, and pH unspecified.
- Executive summary:
BUA report 54, 1990, part 2
Chlorobenzene n-Octanol/water partition coefficients , log Pow are listed below:
-column chromatographic method
and HPLC (25°C) 2.98 +-0.02
-RP-HPLC method (25°C) 2.98 +-0.04
- RP-HPLC method 3.00
- slow stirring method 2.898 +-0.004
-method not given 3.79
Referenceopen allclose all
Temperature and pH not reported
Chlorobenzene n-Octanol/water partition coefficients , log Pow are listed below:
-calculated according to Leo 2.855
-calculated according to Rekker 2.81
-calculated according to Nys & Rekker 2.83
-calculated (THOR database) 2.84
-calculated according to Leo 2.86
- calculated according to Leathy 2.80
- shaking method 2.84
-shaking method 2.46
-shaking method at 20°C 2.84
Chlorobenzene n-Octanol/water partition coefficients , log Pow are listed below:
-column chromatographic method and HPLC (25°C) 2.98 +-0.02
-RP-HPLC method (25°C) 2.98 +-0.04
- RP-HPLC method 3.00
- slow stirring method 2.898 +-0.004
-method not given 3.79
Description of key information
According to literature (BUA report, 1990; secondary source),
Chlorobenzene n-Octanol/water partition coefficients , log Pow are listed below:
- calculated according to Leo 2.855
- calculated according to Rekker 2.81
- calculated according to Nys & Rekker 2.83
- calculated (THOR database) 2.84
- calculated according to Leo 2.86
- calculated according to Leathy 2.80
- shaking method 2.84
- shaking method 2.46
- shaking method at 20°C 2.84
- column chromatographic method and HPLC (25°C) 2.98 +-0.02
- RP-HPLC method (25°C) 2.98 +-0.04
- RP-HPLC method 3.00
- slow stirring method 2.898 +-0.004
- method not given 3.79
The substance has LOW potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow <4 ).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3
- at the temperature of:
- 20 °C
Additional information
Several literature sources were available and provide partition coefficient values for the substance, ranging between 2,18 and 3,79; temperature, when provided is ca 20-25°C, pH is not specified in any source. The BUA report, considered as a reliable source and gathering most of sources, with both indirect (calculation) and direct methods, was chosen as key study. The worst-case value of 3,00 (discarding the unknown method data) is retained as key value.
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