2,2,2-trifluoroethanol

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1998-02-24 to 1998-03-06

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

The study followed the OECD guideline, however calibration was not performed as requested, and the Certificate of Analysis of the test substance was not provided.

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

yes

Remarks:

number of reference substances for calibration not sufficient

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Key result

Type:

log Pow

Partition coefficient:

< 0.3

Temp.:

25 °C

Remarks on result:

other: pH not provided

Calibration results

Substance	Retention time
Thiourea	1.627
2-butanone	2.773
phenol	4.497
p-cresol	6.215
1-naphtol	12.746

The partition coefficient was calculated as a linear function of the retention time Rt (after correction for the dead-time):

log Kow = 2.4153 log (Rt) + 0.25663

correlation coefficient r = 0.99368

Test substance results

Substance	Retention time (assay 1)	Retention time (assay 2)
Thiourea	1.628	1.625
TFE	2.500	2.503

The retention time of the substance on the HLPC chromatogram have an average value of 0.875 (value after Rto correction) and log Kow for the minimum retention time of the standard substance (2-butanone) was less than 1.146 minutes (value after Rto correction). As a result, log Pow of the test substance is 0.3 or less.

pH was not provided.

Conclusions:

The Log Kow of trifluoroethanol was determined to be <0.3 at 25°C.

Executive summary:

The partition coefficient of 2,2,2-Trifluoroethanol was measured according the the OECD 117 HPLC method. Despite some restrictions regarding calibration (number of reference substances, regression calculation), the result can be extrapolated to be less than 0.3.

Description of key information

Experimental results: log Kow < 0.3 at 25°C 

Key value for chemical safety assessment

Log Kow (Log Pow):

0.3

at the temperature of:

25 °C

Additional information

The study report Toriya 1998 is considered as the key study, with a reliability score of 2 as information is sufficient to ensure reliability. The HPLC method provided a value below the calibration range, therefore, as a worst-case, the retained value for this reference is the partition coefficient of the lowest standard.

The experimental values from the publication of Wilkenfeld 1981, as well as from Gestis and SRC databases are consistent (0.33 to 0.41), but validity could not be assigned due to lack of details, so they will be regarded as supportive.

The endpoint key value chosen is the result of the valid experimental study, because in other sources temperature is different or not stated, which do not allow the calculation of a mean.