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EC number: 692-731-2 | CAS number: 76950-43-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 24 Apr 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Joint notification of General Directors of respective Bureaus in Ministry of Health, Labor and Welfare, Ministry of Economy, Trade and Industry, and Ministry of Environment, Japan
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- pH:
- 10
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 24 Apr 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study. The suibstance tested is the main impurity of the substance subjected to registration. This study provides supporting information.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Joint notification of General Directors of respective Bureaus in Ministry of Health, Labor and Welfare, Ministry of Economy, Trade and Industry, and Ministry of Environment, Japan
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- pH:
- 10
Referenceopen allclose all
Dead time determination
The retention time of formamide t0(dead time) was 2.75 min.
Capacity factors k of reference substances
The capacity factor k for each reference substance was calculated from the measured retention times: k = (tR- t0)/t0
Reference substance |
tR (min) |
k |
log k |
log Pow |
2-butanone |
4.19 |
0.52 |
-0.28 |
0.3 |
Benzyl alcohol |
5.23 |
0.90 |
-0.05 |
1.1 |
Benzene |
17.31 |
5.29 |
0.72 |
2.1 |
Toluene |
30.40 |
10.05 |
1.00 |
2.7 |
Bromobenzene |
35.32 |
11.84 |
1.07 |
3.0 |
Ethylbenzene |
51.72 |
17.81 |
1.25 |
3.2 |
Regression equation
log Pow = 0.96 + 1.80 * log k; correlation coefficient R = 1.0.
Result for the test substance
The retention time was measured in duplicate and the result was the same in each of the two measurements: 2.75 min.
The retention time was not in the range determined by measurements for reference substances (from 4.19 to 51.72 min) and therefore only the estimated value is given as less than the lowest reference log Pow value of 2-butanone, i.e. log Pow < 0.3.
Dead time determination
The retention time of formamide t0(dead time) was 2.75 min.
Capacity factors k of reference substances
The capacity factor k for each reference substance was calculated from the measured retention times: k = (tR- t0)/t0
Reference substance |
tR (min) |
k |
log k |
log Pow |
2-butanone |
4.19 |
0.52 |
-0.28 |
0.3 |
Benzyl alcohol |
5.23 |
0.90 |
-0.05 |
1.1 |
Benzene |
17.31 |
5.29 |
0.72 |
2.1 |
Toluene |
30.39 |
10.05 |
1.00 |
2.7 |
Bromobenzene |
35.30 |
11.84 |
1.07 |
3.0 |
Ethylbenzene |
51.75 |
17.82 |
1.25 |
3.2 |
Regression equation
log Pow = 0.96 + 1.80 * log k; correlation coefficient R = 1.0.
Result for the test substance
The retention time was measured in duplicate and the result was the same in each of the two measurements: 2.75 min.
The retention time was not in the range determined by measurements for reference substances (from 4.19 to 51.72 min) and therefore only the estimated value is given as less than the lowest reference log Pow value of 2-butanone, i.e. log Pow < 0.3.
Description of key information
log Pow < 0.3 at 25 °C, pH = 10 (OECD 117)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.3
- at the temperature of:
- 25 °C
Additional information
In a supporting study, the partition coefficient was measured for the main impurity of the submission substance, i.e. 1,5-diazabicyclo[3.2.2]nonane-3-ol. The result obtained was also < 0.3. Both substances are closely related structurally, they are isomers.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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