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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
The substance is UVCB, the log Kow is related to pure substance, so the log Kow is calculated for each components by QSAR.

Data source

Reference
Title:
Results from EPI Suite
Year:
2017
Bibliographic source:
EPI Suite, KOWWIN v1.67

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH guidance on CSA R.6
GLP compliance:
no
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Cinnamyl cinnamate
EC Number:
204-566-1
EC Name:
Cinnamyl cinnamate
Cas Number:
122-69-0
Molecular formula:
C18H16O2
IUPAC Name:
3-phenylprop-2-en-1-yl 3-phenylacrylate
Constituent 2
Chemical structure
Reference substance name:
3-phenylpropyl cinnamate
EC Number:
204-565-6
EC Name:
3-phenylpropyl cinnamate
Cas Number:
122-68-9
Molecular formula:
C18H18O2
IUPAC Name:
3-phenylpropyl 3-phenylacrylate
Constituent 3
Chemical structure
Reference substance name:
Benzyl cinnamate
EC Number:
203-109-3
EC Name:
Benzyl cinnamate
Cas Number:
103-41-3
Molecular formula:
C16H14O2
IUPAC Name:
benzyl 3-phenylacrylate

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
> 4.06 - < 5.05
Remarks on result:
other: data from QSAR on components

Applicant's summary and conclusion