Propene

Biodegradation in water and sediment: simulation tests

Administrative data

Endpoint:

biodegradation in water: simulation testing on ultimate degradation in surface water

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

2020

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

Episuite and the BioHCWin model are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.

Data source

Reference

Reference 1

Reference Type:

publication

Title:

A New Biodegradation Prediction Model Specific to Petroleum Hydrocarbons

Author:

Howard PH, Meylan WM, Aronson D, Stiteler WM, Tunkel J, Comber M, Parkerton F

Year:

2005

Bibliographic source:

Environmental Toxicology and Chemistry. 24 (8): 1847-1860

Reference 2

Reference Type:

publication

Title:

Group contribution method for predicting probability and rate of aerobic biodegradation

Author:

Boethling RS, Howard PH, Meylan W, Stiteler W, Beaumann J, Tirado N

Year:

1994

Bibliographic source:

Environmental Science and Technology. 28: 459-65

Reference 3

Reference Type:

publication

Title:

Predicting Ready Biodegradability in the Japanese Ministry of International Trade and Industry Test

Author:

Tunkel J, Howard PH, Boethling RS, Stiteler W, Loonen H

Year:

2000

Bibliographic source:

Environmental Toxicology and Chemistry. 19: 2478-2485

Reference 4

Reference Type:

other: Computer QSAR model

Title:

Episuite v4.11

Author:

US EPA

Year:

2021

Bibliographic source:

EPA

Report date:

2021

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: ECHA Information Requirements R.6

Principles of method if other than guideline:

BioHCwin v1.01 in EPISuite 4.1 (2013). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (Biowin).

Test material

Test material information

Constituent 1

Reference substance name:

Propene

EC Number:

204-062-1

EC Name:

Propene

Cas Number:

115-07-1

Molecular formula:

C3H6

IUPAC Name:

prop-1-ene

Results and discussion

Half-life of parent compound / 50% disappearance time (DT50)

Key result

Compartment:

water

DT50:

2.36 d

Type:

not specified

Remarks on result:

other: BioHCWin prediction

Transformation products:

not measured

Applicant's summary and conclusion

Conclusions:

The results of the BioHCwin predictions for propene indicate that it will degrade rapidly, with an estimated half life of 2.36 days.

Executive summary:

As propene is a gas at standard temperature and pressure conducting a standard ready biodegradability test is technically difficult and based on exposure estimates the test may not be relevant. Therefore, the use of a QSAR to predict the biodegradability of propene is an appropriate technique to use a part of a weight of evidence approach. The use of BioHCwin is appropriate for propene as this substance falls within the applicability domain of the model. The results indicate that propene is expected to biodegrade rapidly, with an estimated half-life of 2.36 days.