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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
21-04-2017 - 21-04-2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental result performed using standard methods of analysis
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
To determine Partition coefficient (Pow) on soil and on sewage sludge of the 1-methylpiperidin-4-ol (CAS No. 106-52-5) using HPLC.
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material (as cited in study report): 1-methylpiperidin-4-ol
- Molecular formula: C6H13NO
- Molecular weight: 115.175 g/mol
- Substance type: Organic
- Physical state: colourless to pale yellow liquid

SOURCE OF TEST MATERIAL
- Batch No.of test material: CNMHP/RD/17001
- Expiration date of the lot/batch: 20-07-17
- Purity test date:99.73%(by GC)


STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Ambient Temp (23 to 27 °C) (Keep container tightly closed in a dry & well-ventilated place. Store in cool place. Do not expose to air, light & moisture.)
- Stability under test conditions:Stable in recommended storage conditions
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
0.756
Temp.:
25 °C
pH:
7.98
Remarks on result:
other: Log Pow = 0.7556± 0.033

Test substance

 

K

Log k

Log Pow by Generalized Calibration

Graph

Mean of Log Pow ± S.D.

tR1

0.66

-0.2981

-0.5256

0.7326

0.7556 ± 0.033

tR2

0.652

-0.3066

-0.5133

0.7786

Conclusions:
The partition coefficient(n-octanol/water) of test substance 1-methylpiperidin-4-ol (CAS No. 106-52-5) was determined as per the HPLC method (OECD
Guideline-117). The Log Pow value was found to be 0.7556± 0.033 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of 1-methylpiperidin-4-ol (CAS No.106-52-5) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Chlorobenzene, Bromobenzene, Nitrobenzene, Dodecanoic acid, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether having Pow value ranging from 1.9 to 4.6. The Log Pow value was found to be 0.7556± 0.033 at 25°C.

Description of key information

The partition coefficient(n-octanol/water) of test substance 1-methylpiperidin-4-ol (CAS No. 106-52-5) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 0.7556± 0.033 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.756
at the temperature of:
25 °C

Additional information

The partition Coefficient n-octanol/water of 1-methylpiperidin-4-ol (CAS No.106-52-5) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Chlorobenzene, Bromobenzene, Nitrobenzene, Dodecanoic acid, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether having Pow value ranging from 1.9 to 4.6. The Log Pow value was found to be 0.7556± 0.033 at 25°C.

Other supporting information from various databases, suggests that the estimated log Pow of 1-methylpiperidin-4-ol was -0.14. Based on these values, it can be concluded that the test chemical,1-methylpiperidin-4-ol is hydrophillic in nature.