Methyl 2,5-dihydroxybenzoate

Biodegradation in water: screening tests

Administrative data

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

other information

Reliability:

1 (reliable without restriction)

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

Data source

Reference

Reference 1

Reference Type:

other: EPIWin calculation

Title:

Unnamed

Year:

2018

Report date:

2018

Reference 2

Reference Type:

other: Estimation software

Title:

Estimation Programs Interface Suite for Microsoft Windows, v4.10

Author:

US EPA

Year:

2012

Bibliographic source:

United States Environmental Protection Agency, Washington, DC, USA

Materials and methods

Principles of method if other than guideline:

Prediction of ready biodegradability based on EPI Suite v4.11 BIOWIN v4.10.

Test material

Test material information

Constituent 1

Reference substance name:

Methyl 2,5-dihydroxybenzoate

EC Number:

218-427-8

EC Name:

Methyl 2,5-dihydroxybenzoate

Cas Number:

2150-46-1

Molecular formula:

C8H8O4

IUPAC Name:

methyl 2,5-dihydroxybenzoate

Results and discussion

% Degradation

% Degradation 1

Remarks on result:

other: Ready biodegradability prediction: Substance is readily biodegradable.

% Degradation 2

Remarks on result:

other: Biowin1: Biodegrades fast; Biowin2: Biodegrades fast; Biowin3: Weeks; Biowin4: Days; Biowin5: Biodegrades fast; BIOWIN6: Biodegrades fast

Any other information on results incl. tables

Biowin1 (Linear Model Prediction) : Biodegrades Fast

Biowin2 (Non-Linear Model Prediction): Biodegrades Fast

Biowin3 (Ultimate Biodegradation Timeframe): Weeks

Biowin4 (Primary Biodegradation Timeframe): Days

Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast

Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast

Biowin7 (Anaerobic Model Prediction): Biodegrades Fast

Ready Biodegradability Prediction: YES

 

TYPE	NUM	Biowin1 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	2	Aromatic alcohol [-OH]	0.1158	0.2316
Frag	1	Ester [-C(=O)-O-C]	0.1742	0.1742
MolWt	*	Molecular Weight Parameter		-0.0801
Const	*	Equation Constant		0.7475
RESULT	Biowin1 (Linear Biodeg Probability)			1.0733

 

 

TYPE	NUM	Biowin2 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	2	Aromatic alcohol [-OH]	0.9086	1.8172
Frag	1	Ester [-C(=O)-O-C]	4.0795	4.0795
MolWt	*	Molecular Weight Parameter		-2.3877
RESULT	Biowin2 (Non-Linear Biodeg Probability)			0.9985

 

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

 

TYPE	NUM	Biowin3 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	2	Aromatic alcohol [-OH]	0.0564	0.1128
Frag	1	Ester [-C(=O)-O-C]	0.1402	0.1402
MolWt	*	Molecular Weight Parameter		-0.3716
Const	*	Equation Constant		3.1992
RESULT	Biowin3 (Survey Model - Ultimate Biodeg)			3.0806

 

 

TYPE	NUM	Biowin4 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	2	Aromatic alcohol [-OH]	0.0397	0.0794
Frag	1	Ester [-C(=O)-O-C]	0.2290	0.2290
MolWt	*	Molecular Weight Parameter		-0.2426
Const	*	Equation Constant		3.8477
RESULT	Biowin4 (Survey Model - Primary Biodeg)			3.9135

 

Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks

(Primary & Ultimate) 2.00 -> months 1.00 -> longer

 

TYPE	NUM	Biowin5 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	2	Aromatic alcohol [-OH]	0.0642	0.1285
Frag	1	Ester [-C(=O)-O-C]	0.3437	0.3437
Frag	3	Aromatic-H	0.0082	0.0247
Frag	1	Methyl [-CH3]	0.0004	0.0004
MolWt	*	Molecular Weight Parameter		-0.5002
Const	*	Equation Constant		0.7121
RESULT	Biowin5 (MITI Linear Biodeg Probability)			0.7091

 

 

TYPE	NUM	Biowin6 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	2	Aromatic alcohol [-OH]	0.4884	0.9768
Frag	1	Ester [-C(=O)-O-C]	2.4462	2.4462
Frag	3	Aromatic-H	0.1201	0.3604
Frag	1	Methyl [-CH3]	0.0194	0.0194
MolWt	*	Molecular Weight Parameter		-4.8543
RESULT	Biowin6 (MITI Non-Linear Biodeg Probability)			0.8137

 

A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable

A Probability Less Than 0.5 indicates --> NOT Readily Degradable

 

TYPE	NUM	Biowin7 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	2	Aromatic alcohol [-OH]	0.0807	0.1614
Frag	1	Ester [-C(=O)-O-C]	0.1719	0.1719
Frag	3	Aromatic-H	-0.0954	-0.2863
Frag	1	Methyl [-CH3]	-0.0796	-0.0796
Const	*	Equation Constant		0.8361
RESULT	Biowin7 (Anaerobic Linear Biodeg Prob)			0.8035

 

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

 

 

Ready Biodegradability Prediction: (YES or NO)

----------------------------------------------

Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey

model) result is "weeks" or faster (i.e. "days", "days to weeks", or

"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then

the prediction is YES (readily biodegradable). If this condition is not

satisfied, the prediction is NO (not readily biodegradable). This method

is based on application of Bayesian analysis to ready biodegradation data

(see Help). Biowin5 and 6 also predict ready biodegradability, but for

degradation in the OECD301C test only; using data from the Chemicals

Evaluation and Research Institute Japan (CERIJ) database.

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Interpretation of results:

readily biodegradable