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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method, peer-reviewed.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Mackay, Level 1, v3.00
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Isooctadecanoic acid
EC Number:
250-178-0
EC Name:
Isooctadecanoic acid
Cas Number:
30399-84-9
Molecular formula:
not applicable (UVCB substance)
IUPAC Name:
2-methylheptadecanoic acid
Details on test material:
- Name of test material: Isooctadecanoic acid
- Analytical purity: not applicable
- Molecular formula: Example: C18H36O2
- Molecular weight: 284.48 g/mole
- Smiles notation: C(CCCCCCCCCCCCCCCCC)(O)=O

Study design

Test substance input data:
- Molar mass: 284.48
- Data temperature: 25°C
- Water solubility: 0.24 mg/L
- Vapour pressure: 0.0000445 Pa (MPBPWIN v1.43)
- log Pow: 7.5 (KOWWIN v1.67)
- Melting point: -21 °C

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
0.02
Soil (%):
49.5
Sediment (%):
50.1
Susp. sediment (%):
0.322
Biota (%):
0.031
Aerosol (%):
0.001

Applicant's summary and conclusion