Ethanol

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

migrated information: read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Study period:

April 2009

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Accepted calculation method Hypothesis and analogue approach for read-across: This substance (S-Ethanol, composition 2) has degree of ethanol purity between 76 - 82%. Methanol is the main impurity of the target substance (conc. 13-14 %), and considered the major driver for adverse effects based on its properties and relative quantity in the substance. Therefore, testing of the substance itself was considered unnecessary. Instead the available REACH registration data of ethanol and methanol is used in order to update the chemical safety assessment of this substance. Other impurities of this substance are taken into account for self-classification, but there is no need to consider their properties in hazard assessment because of low concentrations (see IUCLID section 1.2; composition 2).

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2009

Materials and methods

Model:

calculation according to Mackay, Level I

Calculation programme:

Level I Fugacity-based Environmental Equilibrium Partitioning Model Version 3.0; Canadian Environmental Modelling Centre, Trent University

Release year:

2 004

Media:

air - biota - sediment(s) - soil - water

Test material

Test material information

Constituent 1

Reference substance name:

Methanol

EC Number:

200-659-6

EC Name:

Methanol

Cas Number:

67-56-1

Molecular formula:

CH4O

IUPAC Name:

methanol

Details on test material:

- Name of test material (as cited in study report): Methanol, CAS 67-56-1
- Analytical purity: no data

Study design

Test substance input data:

- Molar mass: 32.04 g/mol
- Data temperature: 25°C
- Water solubility: 1000000 mg/L
- Vapour pressure: 12900 Pa
- log Pow: -0.82
- Melting point: -98°C
- Henry's law constant: 0.461 Pa.m3/mol

Environmental properties:

Air (Volume (m3), Density (kg/m3), Organic Carbon (g/g), Fish Lipid (g/g)): 6.00E+09, 1.19, -, -
Aerosol (Volume (m3), Density (kg/m3), Organic Carbon (g/g), Fish Lipid (g/g)):0.120, 1500
Water (Volume (m3), Density (kg/m3), Organic Carbon (g/g), Fish Lipid (g/g)): 7.00E+06, 1000, -, -
Suspended Particles (Volume (m3), Density (kg/m3), Organic Carbon (g/g), Fish Lipid (g/g)): 35.0, 1500, 0.167, -
Fish (Volume (m3), Density (kg/m3), Organic Carbon (g/g), Fish Lipid (g/g)): 7.0, 1000, -, 0.05
Soil (Volume (m3), Density (kg/m3), Organic Carbon (g/g), Fish Lipid (g/g)): 45000, 1500, 0.02, -
Sediment (Volume (m3), Density (kg/m3), Organic Carbon (g/g), Fish Lipid (g/g)): 21000, 1300, 0.04

Results and discussion

Percent distribution in media

Air (%):

12.5

Water (%):

87.5

Soil (%):

0

Sediment (%):

0

Susp. sediment (%):

0

Biota (%):

0

Aerosol (%):

0

Other distribution results:

Fugacity: 0.161 Pa

Any other information on results incl. tables

Based on the Level I Modell the majority of Methanol is calculated to partition into the water phase.