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REACH

Styrax benzoin, ext.

EC number: 284-557-7 | CAS number: 84929-79-3 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Styrax benzoin, Styracaceae.

Life Cycle description
Uses advised against

Environmental fate & pathways

Biodegradation in water: screening tests

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Administrative data

Link to relevant study record(s)

Reference

Endpoint:: biodegradation in water: ready biodegradability
Type of information:: (Q)SAR
Adequacy of study:: key study
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:: QSAR prediction from an well known and acknowledged tool. See below under 'Overall remarks, attachments' for applicability domain and 'attached background material section' for methodology.
Qualifier:: according to guideline
Guideline:: other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
Principles of method if other than guideline:: Since the test substance is a UVCB with similar constituents varying mainly in carbon chain lengths, the biodegradation was estimated for the individual major components followed by the selection of a conservative estimate from all predicted output.
GLP compliance:: no
: Key result
Parameter:: other: Ready Biodegradability Prediction
Remarks:: EPISuite BioWin v 4.11
Remarks on result:: not readily biodegradable based on QSAR/QSPR prediction
Remarks:: Endpoint conclusion based on major constituents predictions
Validity criteria fulfilled:: not applicable
Interpretation of results:: not readily biodegradable
Conclusions:: Based on the BIOWIN v4.11 model estimation for major constituents, the test substance is predicted to be not readily biodegradable. The individual submodules (i.e., BioWin 2 and 3 or BioWin 3 and 6) however suggest that the major constituents of the test substance do not meet the persistence criteria as per Annex XIII criteria as set out in the REACH Technical Guidance Document Chapter R.11 (Table R.11—4).
Executive summary:: The biodegradation potential of the test substance, Styrax benzoin extract was estimated using the BioWin v4.11 program of EPI Suite v4.11. BIOWIN contains seven separate models. This version (v4.11) designates the models as Biowin1 (linear probability model), Biowin2 (nonlinear probability model), Biowin3 (expert survey ultimate biodegradation model), Biowin4 (expert survey primary biodegradation model), Biowin5 (MITI linear model), Biowin6 (MITI nonlinear model), Biowin7 (anaerobic biodegradation model). Using SMILES of the major constitunets of the test substance as the input parameter, the biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending upon the model. Overall based on major constituent predictions, the Biowin 1 and Biowin 2 models both predicted 'biodegrades fast, Biowin3 and Biowin 4 predicted 'days-months' and 'days-weeks' respectively, Biowin 5 and Biowin 6 both predicted 'not readily biodegradable' and Biowin 7 predicted 'does not biodegrade fast'. As the criteria for overall 'yes' ready biodegradability prediction is based on the 'weeks' or faster and biodegradation probability of >=0.5 predictions by Biowin 3 and Biowin 5 respectively, the overall ready biodegradability prediction for the substance was 'No' (US EPA, 2019). The individual submodules (i.e., BioWin 2 and 3 or BioWin 3 and 6), however suggest that the major constituents of the test substance do not meet the persistence criteria as per Annex XIII criteria as set out in the REACH Technical Guidance Document Chapter R.11 (Table R.11—4). Overall, the prediction for the test substance is considered to be reliable, as it falls within of the applicability domain.

Description of key information

Based on the results of the QSAR model prediction, the test substance is considered as not readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:: under test conditions no biodegradation observed
Type of water:: freshwater

Additional information

The biodegradation potential of the test substance,Styrax benzoin extractwas estimated using the BioWin v4.11 program of EPI Suite v4.11. BIOWIN contains seven separate models. This version (v4.11) designates the models as Biowin1 (linear probability model), Biowin2 (nonlinear probability model), Biowin3 (expert survey ultimate biodegradation model), Biowin4 (expert survey primary biodegradation model), Biowin5 (MITI linear model), Biowin6 (MITI nonlinear model), Biowin7 (anaerobic biodegradation model). Using SMILES of the major constitunets of the test substance as the input parameter, the biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending upon the model. Overall based on major constituent predictions, the Biowin 1 and Biowin 2 models both predicted 'biodegrades fast, Biowin3 and Biowin 4 predicted 'days-months' and 'days-weeks' respectively, Biowin 5 and Biowin 6 both predicted 'not readily biodegradable' and Biowin 7 predicted 'does not biodegrade fast'. As the criteria for overall 'yes' ready biodegradability prediction is based on the 'weeks' or faster and biodegradation probability of >=0.5 predictions by Biowin 3 and Biowin 5 respectively, the overall ready biodegradability prediction for the substance was 'No' (US EPA, 2019). The individual submodules (i.e., BioWin 2 and 3 or BioWin 3 and 6), however suggest that the major constituents of the test substance do not meet the persistence criteria as per Annex XIII criteria as set out in the REACH Technical Guidance Document Chapter R.11 (Table R.11—4). Overall, theprediction for the test substance is considered to be reliable, as it falls within of the applicability domain.

Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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Biodegradation - BIOWIN
Name	SMILES	BIOWIN v4.11	Domain evaluation
p-Coumaryl cinnamate	Oc1ccc(C=CCOC(=O)C=Cc2ccccc2)cc1	Biowin1 (Linear Model Prediction): Biodegrade fast Biowin2 (Non-Linear Model Prediction): Biodegrade fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks Biowin4 (Primary Biodegradation Timeframe): Days-weeks Biowin5 (MITI Linear Model Prediction): Not readiliy biodegradable Biowin6 (MITI Non-Linear Model Prediction): Not readiliy biodegradable Biowin7 (Anaerobic Model Prediction): Does not biodegrade fast	model 1: ID - MW and mol fragments model 2: ID - MW and mol fragments model 3: ID - MW and mol fragmments model 4: ID - MW and mol fragments model 5: ID - MW and mol fragments model 6: ID - MW and mol fragmments model 7: ID - MW and mol fragments
Cinnamic acid	C1=CC=C(C=C1)C=CC(=O)O	Biowin1 (Linear Model Prediction): Biodegrade fast Biowin2 (Non-Linear Model Prediction): Biodegrade fast Biowin3 (Ultimate Biodegradation Timeframe): Days-Weeks Biowin4 (Primary Biodegradation Timeframe): Days Biowin5 (MITI Linear Model Prediction): Readiliy biodegradable Biowin6 (MITI Non-Linear Model Prediction): Readiliy biodegradable Biowin7 (Anaerobic Model Prediction): Biodegrades fast	model 1: ID - MW and mol fragments model 2: ID - MW and mol fragments model 3: ID - MW and mol fragmments model 4: ID - MW and mol fragments model 5: ID - MW and mol fragments model 6: ID - MW and mol fragmments model 7: ID - MW and mol fragments
Coniferyl cinnamate	COc1cc(C=CCOC(=O)C=Cc2ccccc2)ccc1O	Biowin1 (Linear Model Prediction): Biodegrade fast Biowin2 (Non-Linear Model Prediction): Biodegrade fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months Biowin4 (Primary Biodegradation Timeframe): Days Biowin5 (MITI Linear Model Prediction): Not readiliy biodegradable Biowin6 (MITI Non-Linear Model Prediction): Not readiliy biodegradable Biowin7 (Anaerobic Model Prediction): Does not biodegrade fast	model 1: ID - MW and mol fragments model 2: ID - MW and mol fragments model 3: ID - MW and mol fragmments model 4: ID - MW and mol fragments model 5: ID - MW and mol fragments model 6: ID - MW and mol fragmments model 7: ID - MW and mol fragments

SMILES : Oc1ccc(C=CCOC(=O)C=Cc2ccccc2)cc1
CHEM :
MOL FOR: C18 H16 O3
MOL WT : 280.33
--------------------------- 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-Weeks
Biowin5 (MITI Linear Model Prediction) : Not Readily Degradable
Biowin6 (MITI Non-Linear Model Prediction): Not Readily Degradable
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: NO

------+-----+--------------------------------------------+---------+---------		MW
TYPE \| NUM \| Biowin1 FRAGMENT DESCRIPTION \| COEFF \| VALUE	ID	31.06	697.7
------+-----+--------------------------------------------+---------+---------		Mol Frag
Frag \| 1 \| Aromatic alcohol [-OH] \| 0.1158 \| 0.1158	ID	3
Frag \| 1 \| Ester [-C(=O)-O-C] \| 0.1742 \| 0.1742	ID	3
Frag \| 1 \| Unsubstituted phenyl group (C6H5-) \| 0.1281 \| 0.1281	ID	2
MolWt\| * \| Molecular Weight Parameter \| \| -0.1335
Const\| * \| Equation Constant \| \| 0.7475
============+============================================+=========+=========
RESULT \| Biowin1 (Linear Biodeg Probability) \| \| 1.0322
============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------		MW
TYPE \| NUM \| Biowin2 FRAGMENT DESCRIPTION \| COEFF \| VALUE	ID	31.06	697.7
------+-----+--------------------------------------------+---------+---------		Mol Frag
Frag \| 1 \| Aromatic alcohol [-OH] \| 0.9086 \| 0.9086	ID	4
Frag \| 1 \| Ester [-C(=O)-O-C] \| 4.0795 \| 4.0795	ID	2
Frag \| 1 \| Unsubstituted phenyl group (C6H5-) \| 1.7991 \| 1.7991	ID	2
MolWt\| * \| Molecular Weight Parameter \| \| -3.9806
============+============================================+=========+=========
RESULT \| Biowin2 (Non-Linear Biodeg Probability) \| \| 0.9970
============+============================================+=========+=========

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