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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard test guidelines
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material: 2,2,2-Trichloroethane-1,1-diol (Chloral hydrate)
- Molecular formula: C2-H3-Cl3-O2
- Molecular weight: 165.4026g/mol
- Smiles notation: C(C(O)O)(Cl)(Cl)Cl
- InChl: RNFNDJAIBTYOQL-UHFFFAOYSA-N
- Substance type: Organic
- Physical state: Solid
Key result
Type:
log Pow
Partition coefficient:
1.092
Temp.:
25 °C
Remarks on result:
other: pH details not available

The partition coefficient of test substance CAS No. 302-17-0 was determined as per the shake flask method (OECD Guideline-107). The log Pow value was found to be 1.092 ± 0.212 @250C.

Conclusions:
The partition coefficient of test substance CAS No. 302-17-0 was determined as per the shake flask method (OECD Guideline-107). The log Pow value was found to be 1.092 ± 0.212 @250C.
Executive summary:

The Solubility of 2,2,2-trichloroethane-1,1-diol(CAS No; 302-17-0) was determined in-house and it was found to be 443.695 g/l. For the Pow estimation, the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, for the measured concentration of 2,2,2-trichloroethane-1,1-diol(CAS No. 302-17-0) in the organic and aqueous phases.The log Pow value was found to be 1.092 ± 0.212 @250C.

Description of key information

The partition coefficient of test substance CAS No. 302-17-0 was determined as per the shake flask method (OECD Guideline-107). The log Pow value was found to be 1.092 ± 0.212 @25 0C.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.092
at the temperature of:
25 °C

Additional information

The Solubility of 2,2,2-trichloroethane-1,1-diol(CAS No; 302-17-0) was determined in-house and it was found to be 443.695 g/l. For the Pow estimation, the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, for the measured concentration of 2,2,2-trichloroethane-1,1-diol(CAS No. 302-17-0) in the organic and aqueous phases.The log Pow value was found to be 1.092 ± 0.212 @250C.

The key and supporting value indicates that the substance is hydrophilic in nature which is supported by it water solubility.