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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
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-referenceopen allclose all
Reason / purpose for cross-reference:
reference to same study
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

Constituent 1
Chemical structure
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.