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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Data source

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

Materials and methods

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

Test material

Constituent 1
Chemical structure
Reference substance name:
2-(4-tert-butylbenzyl)propionaldehyde
EC Number:
201-289-8
EC Name:
2-(4-tert-butylbenzyl)propionaldehyde
Cas Number:
80-54-6
Molecular formula:
C14H20O
IUPAC Name:
3-(4-tert-butylphenyl)-2-methylpropanal
Details on test material:
- Name of test material (as cited in study report): 4-(1,1-dimethylethyl)-.alpha.-methyl-Benzenepropanal

Study design

Test substance input data:
- Molar mass: 204.31 g/mol [1]
- Data temperature: 25 °C
- Water solubility: 33 g/m³ [2]
- Vapour pressure: 0.477 Pa[1]
- log Pow: 4.36 [1]
- Melting point: 46.29 ° C [1]

[1] BASF SE (2008). Department of Product Safety, data assessment, unpublished calculation, SRC EPIWIN v3.12, 21 Feb 2008.
[2] Givaudan-Roure SA (1995) Corporate Safety & Environmental Affairs, Water solubility of lilial according to OECD Guideline No. 105 (flask method), unpublished study, report No. 95-E30, 04 July 1995.

Results and discussion

Percent distribution in media

Air (%):
17.99
Water (%):
17.61
Soil (%):
31.91
Sediment (%):
32.26
Susp. sediment (%):
0.21
Biota (%):
0.02
Aerosol (%):
0

Applicant's summary and conclusion