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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
surface tension
Type of information:
(Q)SAR
Adequacy of study:
supporting 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 limited documentation / justification
Remarks:
QSAR predicted result by using ACD/Labs software package
Justification for type of information:
QSAR predicted result by using ACD/Labs software package

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2014
Report date:
2014

Materials and methods

Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
QSAR predicted result by using ACD/Labs software package
GLP compliance:
not specified
Remarks:
QSAR predicted result by using ACD/Labs software package
Type of method:
other:
Remarks:
QSAR predicted result by using ACD/Labs software package

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:
2-Allylphenol
ChemSpider ID: 14864
Molecular Formula: C9H10O
smiles code: C=CCC1=CC=CC=C1O
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
Average mass: 134.175095 Da
Monoisotopic mass: 134.073166 Da
Systematic name 2-Allylphenol
Specific details on test material used for the study:
QSAR predicted result by using ACD/Labs software package

Results and discussion

Surface tension
Key result
Surface tension:
37.7 other: dyne/cm
Temp.:
25 °C
Remarks on result:
other: QSAR predicted result by using ACD/Labs software package

Applicant's summary and conclusion