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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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 limited documentation / justification

Data source

Reference
Reference Type:
other: (Q)SAR Toolbox prediction Category report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
Predicted endpoint (OECD Principle 1 - defined endpoint): Physical Chemical Properties -> Partition
Coefficient: -> n-Octanol/Water
GLP compliance:
not specified
Type of method:
other: OECD principle 5 - Chemical and biological mechanisms
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Isopropyl nitrate
EC Number:
216-983-6
EC Name:
Isopropyl nitrate
Cas Number:
1712-64-7
Molecular formula:
C3H7NO3
IUPAC Name:
propan-2-yl nitrate
Test material form:
liquid

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
ca. 1.66 - ca. 1.66
Remarks on result:
other: QSAR prediction

Applicant's summary and conclusion