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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable method.

Data source

Reference
Reference Type:
other: Mackay calculation
Title:
Unnamed
Year:
2007
Report date:
2007

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
v3.00
Release year:
2 007
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
3-methylbut-2-en-1-ol
EC Number:
209-141-4
EC Name:
3-methylbut-2-en-1-ol
Cas Number:
556-82-1
Molecular formula:
C5H10O
IUPAC Name:
3-methylbut-2-en-1-ol
Details on test material:
- Name of test material (as cited in study report): 3-Methylbuten-2-ol-1 (Prenol)

Study design

Test substance input data:
- Molar mass: 86.13  g/ml [1]
- Data temperature: 25 °C 
- Water solubility:170 g/l [3]
- Vapour pressure:313 Pa [4]
- log Pow: 0.91  [2] 
- Melting point: -59.25, [1]

Sources:
[1] BASF AG (2007) SRC EPIWIN v3.12, 11 Jan 2007 
[2] BASF AG (1988). J No. 128429/02, 19 Jul 1988.
[3] BASF AG (2003). Safety data sheet for prenol.
[4] BASF AG (1973). J No. 6-443, 27 Jul 1973.

Results and discussion

Percent distribution in media

Air (%):
5.19
Water (%):
94.7
Soil (%):
0.06
Sediment (%):
0.06
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion