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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
other information
Study period:
2008
Reliability:
4 (not assignable)
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: EPIWin calculation
Title:
Unnamed
Year:
2008
Report date:
2008

Materials and methods

Principles of method if other than guideline:
SRC AOP v1.92
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3,5,5-trimethylhexanoic acid
EC Number:
221-975-0
EC Name:
3,5,5-trimethylhexanoic acid
Cas Number:
3302-10-1
Molecular formula:
C9H18O2
IUPAC Name:
3,5,5-trimethylhexanoic acid

Study design

Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 500000 molecules / cm³
- Degradation rate constant: 6.3988 E-12 cm³/molecule*sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: SRC AOP v1.92

Results and discussion

Dissipation half-life of parent compound
DT50:
60.17 h

Applicant's summary and conclusion