2,2,2-trichloroethane-1,1-diol

Partition coefficient

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.