Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

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
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.