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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
supporting study
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
other: accepted calculation method, but not yet validated

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2008
Report date:
2008

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
US EPA EPI suite (v3.2), program component Level III fugacity model
Release year:
2 007
Media:
other: air - sediment - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Isobutyl acetate
EC Number:
203-745-1
EC Name:
Isobutyl acetate
Cas Number:
110-19-0
Molecular formula:
C6H12O2
IUPAC Name:
isobutyl acetate

Study design

Test substance input data:
- Molar mass: 116.16
- Vapour pressure: 17.8 mm Hg
- log Pow: 1.78
- Melting point: -98.80
- Emissions:
- Air: 1000 kg/hr
- Water: 1000 kg/hr
- Soil: 1000 kg/hr
- Sediment: 0 kg/hr

Results and discussion

Percent distribution in media

Air (%):
13
Water (%):
38.8
Soil (%):
48
Sediment (%):
0.11

Any other information on results incl. tables

Level III Fugacity Model:

Mass Amount

(percent)

Half-Life

(hr)

Emissions

(kg/hr)

Air

13

46.7

1000

Water

38.8

360

1000

Soil

48

720

1000

Sediment

0.111

3.24E+003

0

Persistence Time: 207 hr

Applicant's summary and conclusion

Conclusions:
Emissions of isobutyl acetate will distribute prevalently in soil (48%) and to a slightly lesser extend in water (38.8%). The portion in air is considerably less (13%) with a minimal fraction in sediment (0.111%).
The estimated persistance time is 207 hr.
Executive summary:

Estimates obtained from Level III fugacity distribution modelling using US EPA EPI Suite v3.2, model component Level III fugacity model indicate that emissions of isobutyl acetate will distribute predominantly in soil (48%) and water (38.8%), and to a lesser extent in air (13%) and sediment (0.111%). The estimated persistance time is 207 hr.