Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Data source

Reference
Reference Type:
other: Computer model
Title:
EPI SuiteTM, Estimation Program Interface Suite, v4.1
Author:
U.S. Environmental Protection Agency (USEPA)
Year:
2000
Bibliographic source:
USEPA, Washington, DC, USA

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: KOWWIN by EPISUITE
Version / remarks:
computer model fragment method
GLP compliance:
no
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Heptyl undec-10-enoate
EC Number:
268-850-7
EC Name:
Heptyl undec-10-enoate
Cas Number:
68141-27-5
Molecular formula:
C18H34O2
IUPAC Name:
heptyl undec-10-enoate

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
7.6
Temp.:
25 °C
pH:
7
Remarks on result:
not measured/tested

Applicant's summary and conclusion

Conclusions:
octanol-water partition coefficient is estimated to be 7.60 using KOWWIN model by EPISUITE
Executive summary:

octanol-water partition coefficient is estimated to be 7.60 using KOWWIN model by EPISUITE