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Partition coefficient

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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:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
The partition Coefficient n-octanol/water of 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] (CAS No. 54299-17-1) 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 (IUPAC name): 1,4-phenylene bis[(4-phenoxyphenyl)-methanone]
- Molecular formula: C32H22O4
- Molecular weight: 470.5218 g/mol
- Smiles : c1ccc(cc1)Oc2ccc(cc2)C(=O)c3ccc(cc3)C(=O)c4ccc(cc4)Oc5ccccc5
- InChI : 1S/C32H22O4/c33-31(25-15-19-29(20-16-25)35-27-7-3-1-4-8-27)23-11-13-24(14-12-23)32(34)26-17-21-30(22-18-26)36-28-9-5-2-6-10-28/h1-22H
- Substance Type: Organic
- Physical State: Solid
- Batch No./ Lot no.: E18/11
- Physical Appearance: White solid powder
- Purity: > 99 % by HPLC
- Stability: Stable in recommended storage conditions
- Storage Conditions: 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:
3.64
Temp.:
25 °C
pH:
3.3
Remarks on result:
other: logKow was reported to be 3.64 ± 0.000
Details on results:
The Partition coefficient (Pow) of the 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] (CAS No. 54299-17-1) was determined to be 3.64 ± 0.000 at 25°C.
Conclusions:
The partition coefficient(n-octanol/water) of test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] (CAS No. 54299-17-1) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.64 ± 0.000 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] (CAS No. 54299-17-1) 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 estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Butanone, Acetophenone, Benzophenone, 4-Methoxyphenol, Phenol, Benzene, Thymol, Biphenyl, Methyl benzoate, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, 2,6-Diphenylpyridine, Bromobenzene, 2,3-Dichloroaniline, Triphenylamine, 4-Acetylpyridine, Acetanilide, 2,4-Dinitrophenol, 2-Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, Cinnamic Acid, 3-Nitrobenzoic acid, 3-Methylbenzoic acid, 3-Chlorobenzoic acid, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether, DDT having Pow value ranging from 0.3 to 6.2. The Log Pow value of the test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] was determined to be 3.64 ± 0.000 dimensionless at 25°C. On the basis of this value, test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] can be considered to be hydrophobic in nature.

Description of key information

The partition Coefficient n-octanol/water of test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] (CAS No. 54299-17-1) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals (Experimental study report, 2018). The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Butanone, Acetophenone, Benzophenone, 4-Methoxyphenol, Phenol, Benzene, Thymol, Biphenyl, Methyl benzoate, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, 2,6-Diphenylpyridine, Bromobenzene, 2,3-Dichloroaniline, Triphenylamine, 4-Acetylpyridine, Acetanilide, 2,4-Dinitrophenol, 2-Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, Cinnamic Acid, 3-Nitrobenzoic acid, 3-Methylbenzoic acid, 3-Chlorobenzoic acid, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether, DDT having Pow value ranging from 0.3 to 6.2. The Log Pow value of the test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] was determined to be 3.64 ± 0.000 dimensionless at 25°C. On the basis of this value, test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] can be considered to be hydrophobic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.64
at the temperature of:
25 °C

Additional information

The partition Coefficient n-octanol/water of test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] (CAS No. 54299-17-1) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals (Experimental study report, 2018). The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Butanone, Acetophenone, Benzophenone, 4-Methoxyphenol, Phenol, Benzene, Thymol, Biphenyl, Methyl benzoate, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, 2,6-Diphenylpyridine, Bromobenzene, 2,3-Dichloroaniline, Triphenylamine, 4-Acetylpyridine, Acetanilide, 2,4-Dinitrophenol, 2-Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, Cinnamic Acid, 3-Nitrobenzoic acid, 3-Methylbenzoic acid, 3-Chlorobenzoic acid, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether, DDT having Pow value ranging from 0.3 to 6.2. The Log Pow value of the test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] was determined to be 3.64 ± 0.000 dimensionless at 25°C. On the basis of this value, test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] can be considered to be hydrophobic in nature.