Zinc distearate

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

Principles of method if other than guideline:

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

- Name of test material : Zinc distearate
- Molecular formula: C36H70O4Zn
- Molecular weight: 632.335 g/mol
- SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]
- InChI: 1S/2C18H36O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
- Substance type: Organic
- Physical state: Solid
- Batch No./ Lot no.: L216551704
- Physical Appearance: Fine white amorphous powder
- Purity: 11.10%(as zinc)
- Stability: Stable in recommended storage conditions
- Storage Conditions: 1. Ambient Temp (23 to 27 °C) √ (Store in a cool place. Keep containers tightly closed in a dry and well ventilated place)

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

4.64

Temp.:

25 °C

Remarks on result:

other: LogKow was reported to be 4.640 ± 0.002

Details on results:

The Partition coefficient (Pow) of the test chemical was determined to be 4.640 ± 0.002 at 25°C.

Table 1:

Reference substance	Log Pow	Rt1	Rt2	Rt3	Mean Rt ± S.D.	k	Log k
Formamide	NA	0.977	0.922	0.922	0.94±0.002	0	0
4-Acetylpyridine	0.5	1.076	1.077	NA	1.0765±0.001	0.1448	-0.8391
Acetanilide	1	1.081	1.082	NA	1.0815±0.001	0.1501	-0.8236
Benzylalcohol	1.1	1.129	1.127	NA	1.128±0.001	0.1996	-0.6998
4-Methoxyphenol	1.3	1.108	1.107	NA	1.1075±0.001	0.1778	-0.7501
Phenol	1.5	1.15	1.149	NA	1.1495±0.001	0.2224	-0.6529
2,3-Dichloroaniline	2.8	1.619	1.629	NA	1.624±0.007	0.7271	-0.1384
Diphenylamine	3.4	2.113	2.112	NA	2.1125±0.001	1.2466	0.0957
Naphthalene	3.6	2.388	2.393	NA	2.3905±0.004	1.5422	0.1881
Biphenyl	4	2.822	2.841	NA	2.8315±0.013	2.011	0.3034
BenzylBenzoate	4	2.465	2.471	NA	2.468±0.004	1.6246	0.2107
Dodecanoicacid	4.2	3.001	2.845	NA	2.923±0.110	2.1085	0.324
Diphenylether	4.2	2.706	2.728	NA	2.717±0.016	1.889	0.2762
n-Butylbenzene	4.6	4.454	4.463	NA	4.4585±0.006	3.741	0.573
DDT	6.5	8.425	8.427	NA	8.426±0.001	7.96	0.9009

Table 2

Test substance		K	LogK	Log Pow by Generalized Calibration Graph	Mean of logPow ± S.D
Tr1	3.638	2.869	0.458	4.639	4.640± 0.002
Tr2	3.644	2.875	0.459	4.641

Conclusions:

The partition coefficient(n-octanol/water) of test chemical was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 4.640 ± 0.002 at 25°C.On the basis of this value, test substance can be considered to be hydrophobic in nature.

Executive summary:

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 7.4.The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substance 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenol, 2,3-Dichloroaniline, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, Dodecanoic acid, Diphenyl ether, n-Butylbenzene, DDT having Pow value ranging from 0.5 to 6.5. The Log Pow value of the test substance was determined to be 4.640 ± 0.002 dimensionless at 25°C. On the basis of this value, test substance can be considered to be hydrophobic in nature.

Description of key information

The partition coefficient(n-octanol/water) of test chemical was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 4.640 ± 0.002 at 25°C.On the basis of this value, test substance can be considered to be hydrophobic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):

4.64

at the temperature of:

25 °C

Additional information

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 7.4.The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substance 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenol, 2,3-Dichloroaniline, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, Dodecanoic acid, Diphenyl ether, n-Butylbenzene, DDT having Pow value ranging from 0.5 to 6.5. The Log Pow value of the test substance was determined to be 4.640 ± 0.002 dimensionless at 25°C. On the basis of this value, test substance can be considered to be hydrophobic in nature.