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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
February 2022
Reliability:
2 (reliable with restrictions)
Justification for type of information:
UVCB Substance with numerous constituents. All those characterised as being >5% subject to in-silico assessment using validated and reliable systems

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2022
Report date:
2022

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
Default input values used based on SMILES input
GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Oleic acid
EC Number:
204-007-1
EC Name:
Oleic acid
Cas Number:
112-80-1
Molecular formula:
C18H34O2
IUPAC Name:
octadec-9-enoic acid

Results and discussion

Partition coefficient
Key result
Type:
Pow
Partition coefficient:
7.729
Temp.:
20 °C
pH:
7

Applicant's summary and conclusion