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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: data from secondary source
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: MSDS
Title:
Unnamed
Year:
2010

Materials and methods

Principles of method if other than guideline:
Calculation by QSAR
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
17α-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one
EC Number:
220-513-5
EC Name:
17α-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one
Cas Number:
2787-02-2
Molecular formula:
C22H28O3
IUPAC Name:
(1S,3aS,3bR,8Z,9aR,9bS,11aS)-1-ethynyl-1-hydroxy-8-(hydroxymethylidene)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Constituent 2
Reference substance name:
Ethinylandrostenone
IUPAC Name:
Ethinylandrostenone

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
4.72
Remarks on result:
other: no information on pH and temperature available

Applicant's summary and conclusion

Conclusions:
The substance as an estimated logPow of 4.72