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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Data source

Reference
Reference Type:
other: Mackay Level I calculation
Title:
Unnamed
Year:
2008
Report date:
2008

Materials and methods

Model:
calculation according to Mackay, Level I
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

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

Test substance input data:
- Molar mass: 158.24 g/mol
- Data temperature: 25 °C
- Water solubility: 2000 g/m³
- Vapour pressure: 1 Pa
- log Pow: 2.34
- Melting point: -65 °C

Results and discussion

Percent distribution in media

Air (%):
1.99
Water (%):
72.6
Soil (%):
12.6
Sediment (%):
12.7
Susp. sediment (%):
0.08
Biota (%):
0.01
Aerosol (%):
0

Applicant's summary and conclusion

Conclusions:
Trimethylhexanoic acid will mainly be distributed to the compartments water, sediment and soil.