2-benzyloxyethanol

Biodegradation in water: screening tests

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

biodegradation in water: screening test, other

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

Qualifier:

according to guideline

Guideline:

other: REACH Guidance on QSARs R.6

GLP compliance:

no

Key result

Parameter:

probability of ready biodegradability (QSAR/QSPR)

Remarks on result:

other: The substance was predicted as "Possible Readily Biodegradable"

Compound SMILES: OCCOCc1ccccc1
Experimental value: -
Predicted RB activity: Possible Readily Biodegradable
No. alerts for non Ready Biodegradability (RB): 0
No. alerts for possible non RB: 0
No. alerts for RB: 0
No. alerts for possible RB: 1
Structural alerts: Possible RB alert no. 15 (ethane-1,2-diol)
Reliability: the predicted compound is into the Applicability Domain of the model

Validity criteria fulfilled:

yes

Interpretation of results:

readily biodegradable

Conclusions:

Based on the results of "Ready Biodegradability model (IRFMN) 1.0.9" substance is considered "Possible readily biodegradable".

Executive summary:

The model classified the chemical compound as "Possible Readily Biodegradable", considering that the target compound fall within the applicability domain of the model, we can consider the prediction reliable. Furthermore, the similarity of the the structural analogues is very high (ranging from 0.85 to 0.92). All analogues were experimentally found to be "ready biodegradable" and were also good predicted by the model.

The fingerprint for the "Possible RB" no. 15 (ethane-1,2-diol; SMARTS: OCCO) was found within the molecular structure. 

Reference 2

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

(Q)SAR

Adequacy of study:

supporting study

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

Guideline:

other: REACH Guidance on QSARs R.6

GLP compliance:

no

Specific details on test material used for the study:

SMILE: C1=CC=C(C=C1)COCCO

Key result

Parameter:

other:

Remarks on result:

other:

Remarks:

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 ModelPrediction): Readily Degradable Biowin6 (MITI Non-Linear Model Prediction): Readily Degradable Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast Ready Biodegradability Prediction: YES

Key result

Parameter:

other: The chemical compound was predicted As READILY BIODEGRADABLE

SMILES : c1ccc(cc1)COCCO
CHEM :
MOL FOR: C9 H12 O2
MOL WT : 152.19
--------------------------- BIOWIN v4.10 Results ----------------------------

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) : Readily Degradable
Biowin6 (MITI Non-Linear Model Prediction): Readily Degradable
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES

Biowin1
TYPE	NUM	Biowin1 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	1	Aliphatic alcohol  [-OH]	0.1587	0.1587
Frag	1	Aliphatic ether  [C-O-C]	-0.3474	-0.3474
Frag	1	Unsubstituted phenyl group (C6H5-)	0.1281	0.1281
MolWt	*	Molecular Weight Parameter		-0.0725
Const	*	Equation Constant		0.7475
RESULT	Biowin1 (Linear Biodeg Probability)			0.6145

Biowin2
TYPE	NUM	Biowin2 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	1	Aliphatic alcohol  [-OH]	1.1178	1.1178
Frag	1	Aliphatic ether  [C-O-C]	-3.4294	-3.4294
Frag	1	Unsubstituted phenyl group (C6H5-)	1.7991	1.7991
MolWt	*	Molecular Weight Parameter		-2.1612
RESULT	Biowin2 (Non-Linear Biodeg Probability)			0.583

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

Biowin3
TYPE	NUM	Biowin3 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	1	Aliphatic alcohol  [-OH]	0.16	0.16
Frag	1	Aliphatic ether  [C-O-C]	-0.0087	-0.0087
Frag	1	Unsubstituted phenyl group (C6H5-)	0.022	0.022
MolWt	*	Molecular Weight Parameter		-0.3363
Const	*	Equation Constant		3.1992
RESULT	Biowin3 (Survey Model - Ultimate Biodeg)			3.0362

Biowin4
TYPE	NUM	Biowin4 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	1	Aliphatic alcohol  [-OH]	0.1294	0.1294
Frag	1	Aliphatic ether  [C-O-C]	-0.0097	-0.0097
Frag	1	Unsubstituted phenyl group (C6H5-)	0.0049	0.0049
MolWt	*	Molecular Weight Parameter		-0.2196
Const	*	Equation Constant		3.8477
RESULT	Biowin4 (Survey Model - Primary Biodeg)			3.7528

Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks
(Primary & Ultimate) 2.00 -> months 1.00 -> longer

Biowin5
TYPE	NUM	Biowin5 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	1	Aliphatic alcohol  [-OH]	0.1611	0.1611
Frag	1	Aliphatic ether  [C-O-C]	0.0015	0.0015
Frag	1	Aromatic-CH2	-0.0557	-0.0557
Frag	5	Aromatic-H	0.0082	0.0411
Frag	2	-CH2-  [linear]	0.0494	0.0988
MolWt	*	Molecular Weight Parameter		-0.4528
Const	*	Equation Constant		0.7121
RESULT	Biowin5 (MITI Linear Biodeg Probability			0.5062

Biowin6
TYPE	NUM	Biowin6 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	1	Aliphatic alcohol  [-OH]	1.0041	1.0041
Frag	1	Aliphatic ether  [C-O-C]	-0.1071	-0.1071
Frag	1	Aromatic-CH2	-0.1246	-0.1246
Frag	5	Aromatic-H	0.1201	0.6007
Frag	2	-CH2-  [linear]	0.4295	0.859
MolWt	*	Molecular Weight Parameter		-4.3937
RESULT	Biowin6 (MITI Non-Linear Biodeg Probability)			0.59

A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable
A Probability Less Than 0.5 indicates --> NOT Readily Degradable

Biowin7
TYPE	NUM	Biowin7 FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	1	Aliphatic alcohol  [-OH]	0.1328	0.1328
Frag	1	Aliphatic ether  [C-O-C]	-0.2573	-0.2573
Frag	1	Unsubstituted phenyl group (C6H5-)	0.2182	0.2182
Frag	1	Aromatic-CH2	-0.0073	-0.0073
Frag	5	Aromatic-H	-0.0954	-0.4772
Frag	2	-CH2-  [linear]	0.026	0.052
Const	*	Equation Constant		0.8361
RESULT	Biowin7 (Anaerobic Linear Biodeg Prob)			0.4973

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.

Validity criteria fulfilled:

not applicable

Interpretation of results:

readily biodegradable

Conclusions:

On the basis of the results obtained by BIOWIN Models, the 2-benzyloxyethanol is predicted as Readily biodegradable

Reference 3

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 310 (Ready Biodegradability - CO2 in Sealed Vessels (Headspace Test)

Version / remarks:

2014

Deviations:

no

GLP compliance:

yes

Oxygen conditions:

aerobic

Inoculum or test system:

sewage, predominantly domestic (adaptation not specified)

Details on inoculum:

For the preparation of the inoculum a sample of aerobic sludge has been selected by the mixed treatment plant of urban (about 66%) and industrial (about 34%) liquid sewage situated at San Rocco - Monza (MB), Italia. The plant of treatment is managed by “BRIANZACQUE SRL (Monza)”.
In the laboratory, the sampled muds have been mixed and let settle, keeping them in aerobic conditions for 4 days. The mud samples, before their use, have been analysed to check its ability to form colony units. Then it has been centrifuged, washed and analyzed to quantify the suspended solids concentration for the inoculum preparation. The inoculum was prepared in order to have a concentration of suspended solid of about 4 mg/L.

Duration of test (contact time):

ca. 28 d

Initial conc.:

ca. 31.37 mg/L

Based on:

TOC

Parameter followed for biodegradation estimation:

CO2 evolution

Details on study design:

Medium preparation:
Solution A
Formula Concentration (g/L)
Anhydrous potassium dihydrogenphosphate KH2PO4 8.50
Anhydrous dipotassium hydrogenphosphate K2HPO4 21.75
Disodium hydrogenphosphate dihydrate Na2HPO4.2H2O 33.40
Ammonium chloride NH4 CI 0.50
pH = 7.51

Solution B
Formula Concentration (g/L)
Calcium chloride dihydrate CaCl2 2H2O 36.40

Solution C
Formula Concentration (g/L)
Magnesium sulfate heptahydrate MgSO4 7H2O 22.50

Solution D
Formula Concentration (g/L)
Iron chloride (III) hexahydrate FeCl3 6H2O 0.25

All solutions have been made with deionized water (MilliQ Millipore).
Then for each litre of medium 10 mL of Solution A have been transferred into a 1000 mL volumetric flask and diluted with 800 mL of deionised water; 1 mL of Solution B, 1 mL of Solution C and 1 mL of
Solution D have been added and the solution has been diluted to volume with deionised water.
For higher volumes the medium has been prepared according to the same proportion. The preparation of the solutions has been reported in an internal logbook

Reference substance:

other: 1-octanol

Key result

Parameter:

% degradation (CO2 evolution)

Value:

ca. 75

Sampling time:

28 d

Validity criteria fulfilled:

yes

Interpretation of results:

readily biodegradable

Conclusions:

On the basis of results obtained, interpreted in accordance to OECD 310:2014, the test item “ID 47955 - BENZYL GLYCOL CAS-NO.622-08-2 EC-NO.210-719-3” is considered readily biodegradable in aerobic conditions

Executive summary:

On the test item the analysis of inorganic carbon for the evaluation in an aqueous medium of the aerobic biodegradability has been performed following screening method described in OECD 310: 2014.

For this purpose the amount of developed inorganic carbon has been measured and reported in comparison to the blank.

The test has been done using the test item with a fixed concentration of organic carbon.

Samples have been kept at the temperature of 20 ± 1 °C for the whole period of the test (28 days).

On the basis of results obtained, interpreted in accordance to OECD 310:2014, the test item is considered readily biodegradable in aerobic conditions.

Key value for chemical safety assessment

Biodegradation in water:

readily biodegradable

Type of water:

freshwater

Additional information

The substance is readly biodegrable according to

- OECD 310

- VEGA-Hub (Ready Biodegradability model version 1.0.9)US EPA’s EPISuite estimation program v4.11 (models BIOWIN1, BIOWIN2, BIOWIN3, BIOWIN4, BIOWIN5, BIOWIN6 and BIOWIN7)