12-hydroxystearic acid

Biodegradation in soil

Administrative data

Endpoint:

biodegradation in soil

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Study period:

Not applicable

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Estimation according to level III fugacity model and Biowin3 of EPIWIN

Justification for data waiving:

other:

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to same study

Cross-reference 2

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

other: software

Title:

Level III fugacity model and Biowin3 (EPIWEB v 4.0)

Author:

U.S. Environmetal Protection Agency

Year:

2009

Bibliographic source:

US EPA. [2009]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Principles of method if other than guideline:

The biodegradation in water estimated using Biowin 3 in terms of ‘time-range’, is used for half-life derivation, by application of conversion factors. EPISUITE assumes conversion of biodegradation rate for a chemical in soil as, on average, one-half (1/2) that in water.

Test type:

other: Estimated soil half-life from Biowin3 of EPIWIN

Test material

Test material information

Constituent 1

Reference substance name:

12-hydroxystearic acid

EC Number:

203-366-1

EC Name:

12-hydroxystearic acid

Cas Number:

106-14-9

Molecular formula:

C18H36O3

IUPAC Name:

12-hydroxyoctadecanoic acid

Details on test material:

- Name of test material (as cited in study report): 12-hydroxystearic acid
- Composition of test material, percentage of components: Data can be provided by the sponsors
- Physical state: Solid
- Composition of test material, percentage of composition: Data can be provided by the sponsors
- Purity test date: April 09, 2010
- Expiration date of the lot/batch: April 09, 2011
- Storage condition of test material: In original container, at room temperature (15 – 25 °C), in the dark

Specific details on test material used for the study:

Details on properties of test surrogate or analogue material (migrated information):
Not applicable

Study design

Oxygen conditions:

other: Not applicable

Soil classification:

other: Not applicable

Details on soil characteristics:

Not applicable

Initial test substance concentration

Based on:

other: Not applicable

Parameter followed for biodegradation estimation:

other: Not applicable

Experimental conditions

Temp.:

Not applicable

Humidity:

Not applicable

Microbial biomass:

Not applicable

Details on experimental conditions:

Not applicable

Results and discussion

Material (mass) balance

% Recovery:

78.2

Remarks on result:

other: estimated using the Level III Fugacity Model of EPIWIN

Half-life / dissipation time of parent compound

DT50:

8.67 d

Type:

other: first-order kinetics

Remarks on result:

other: Converted by Biowin 3 (EPIWIN), assuming that (a) 6 half-lives constitutes the "complete" degradation of a substance, (b) first-order kinetics (c) biodegradation rate for a chemical in soil is, on average one-half (1/2) that in water

Transformation products:

not measured

Identity of transformation products

Reference

Reference substance name:

Unnamed

IUPAC name:

not applicable

Identity:

not applicable

Details on transformation products:

Not applicable

Evaporation of parent compound:

not measured

Volatile metabolites:

not measured

Residues:

not measured

Details on results:

See below under 'Any other information on results incl. tables'

Results with reference substance:

Not applicable

Any other information on results incl. tables

Soil Half-life estimation:

The test substance biodegradation in water (time range) and its assigned half-life by BIOWIN3 is as follows:

 

BIOWIN Output	Converted assigned half-life in water (days)	Converted half-life in soil (days)	Converted half-life in sediment (days)
Days to Weeks	8.67	17.3	78.03

 

 

Percent distribution:

The estimated percent distribution of the test substance in different environmental compartments using the Level III Fugacity Model are:

        

Mass	Amount  (percent)	Half-Life (h)	Emissions (Kg/h)
Air	0.363	8.16	1000
Water	21	208	1000
Soil	78.2	416	1000
Sediment	0.422	0.00187	0
Persistence Time	391 h

Applicant's summary and conclusion

Conclusions:

The estimated percent distribution and BIOWIN determined half life of the test substance in soil using Fugacity level III model and BIOWIN3 (EPIWEB v 4.0) was 78.2% and 416 h (i.e.17.3 days) respectively.

Executive summary:

The percent distribution and biodegradation of 12-hydroxystearic acid in soil was determined using level III fugacity model and Biowin 3 of EPIWEB v 4.0. The input parameters for this model were SMILES and CAS number of the test substance.

Distribution data in soil was estimated using Mackay level III fugacity modeling. This model is a direct adaption of the methodology as Mackay’s EQC model, and is a well established and validated distribution model. The biodegradation in soil was estimated using Biowin 3 by application of suitable conversion factors as, on average, one-half (1/2) that in water. 

The estimated percent distribution and BIOWIN determined half life of the test substance insoil using Fugacity level III model and BIOWIN3 (EPIWEB v 4.0) was78.2% and 416 h (i.e.17.3 days)respectively.