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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: estimated with QSAR software
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Referenceopen allclose all

Reference Type:
publication
Title:
No information
Author:
SRC
Year:
2013
Bibliographic source:
SRC PhysProp Database, SRC Inc, USA published on the web
Reference Type:
publication
Title:
No information
Author:
Meylan, W.M. and Howard, P.H.
Year:
1995
Bibliographic source:
Meylan, W.M. and Howard, P.H.  1995.  Atom/Fragment contribution method for estimating octanol-water partition coefficients. J. Pharm. Sci. 84: 83-92., US EPASuite published by SRC, USA

Materials and methods

Test guideline
Deviations:
not specified
Principles of method if other than guideline:
QSAR software used
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
2-allylphenol
EC Number:
217-119-0
EC Name:
2-allylphenol
Cas Number:
1745-81-9
Molecular formula:
C9H10O
IUPAC Name:
2-(prop-2-en-1-yl)phenol
Details on test material:
CAS Number : 001745-81-9
Chem Name : Phenol, 2-(2-propenyl)-
Mol Formula: C9H10O
Mol Weight : 134.18
Melting Pt : -6 deg C
Boiling Pt : 220 deg C

Results and discussion

Henry's Law constant H
H:
0 atm m³/mol
Remarks on result:
other: QSAR software used

Applicant's summary and conclusion