Registration Dossier

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:
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

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,-(E)-

Study design

Test substance input data:
- Molar mass: 192.3 g/mol [1]
- Data temperature: 25 °C
- Water solubility: 0.169 g/m³ [2]
- Vapour pressure: 0.000072 [2]
- log Pow: 4.1 [3]
- Melting point: - 35 °C [4]

[1]: BASF SE (2008). Department of Product Safety, data assessment, unpublished calculation, SRC EPIWIN v3.12, 04 Feb 2008.
[2]: Fichan I., Larroche C. and Gros J.B. (1999), Water solubility, vapor pressure, and activity coefficients of terpenes and terpenoids, J. Chem. Eng. Data 44, 56-62
[3]: Givaudan (1994) Corporate Safety & Environmental Affairs, Partition coefficient n-octanol/water of IONONE BETA SYNT according to OECD Guideline No. 117, unpublished study, 02 Nov. 1994
[4]: Beilstein, Handbook (online), BRN 1909545, BPR 79-77-6, Pfizer & Co. US 2638483, 1951

Results and discussion

Percent distribution in media

Air (%):
0.92
Water (%):
32.42
Soil (%):
32.27
Sediment (%):
32.63
Susp. sediment (%):
0.21
Biota (%):
0.02
Aerosol (%):
1.53

Applicant's summary and conclusion