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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Data source

Reference
Reference Type:
other: model calculation report
Title:
Unnamed
Year:
2007

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
calculated, bond estimation method
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
1-(1,1-dimethylethoxy)-2-methylpropane
EC Number:
251-347-1
EC Name:
1-(1,1-dimethylethoxy)-2-methylpropane
Cas Number:
33021-02-2
Molecular formula:
C8H18O
IUPAC Name:
1-(tert-butoxy)-2-methylpropane

Results and discussion

Henry's Law constant H
H:
478 Pa m³/mol
Temp.:
25 °C

Applicant's summary and conclusion