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Registration Dossier
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EC number: 611-821-4 | CAS number: 5934-29-2
Biodegradation in water: screening tests
Administrative data
- 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:
- Please refer to QPRF/QMRF documentation for detailed information on model suitability
Data source
Referenceopen allclose all
- Reference Type:
- other: Estimation software
- Title:
- Estimation Programs Interface Suite for Microsoft Windows, v4.11
- Author:
- US EPA
- Year:
- 2 012
- Bibliographic source:
- United States Environmental Protection Agency, Washington DC, USA; November 2012
- Reference Type:
- publication
- Title:
- Group contribution method for predicting probability and rate of aerobic biodegradation.
- Author:
- Boethling, R.S., Howard, P.H., Meylan, W., Stiteler, W., Beaumann, J., Tirado, N.
- Year:
- 1 994
- Bibliographic source:
- Environ. Sci. Technol. 28:459-65.
- Reference Type:
- publication
- Title:
- Predicting Ready Biodegradability of Premanufacture Notice Chemicals.
- Author:
- Boethling, R.S., Lynch. D.G., Thom, G.C.
- Year:
- 2 003
- Bibliographic source:
- Environ. Toxicol. Chem. 22:837-844.
- Reference Type:
- publication
- Title:
- BIOWIN v4.10 (September 2010)
- Author:
- US EPA
- Year:
- 2 010
- Bibliographic source:
- United States Environmental Protection Agency, Washington, DC, USA.
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on information requirements and chemical safety assessment, chapter R.6: QSARs and grouping of chemicals.
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- (Q)SAR calculation: EPIWEB V4.1 - Biowinv 4.10
- GLP compliance:
- no
Test material
- Reference substance name:
- L-Histidine Hydrochloride Monohydrate
- EC Number:
- 611-821-4
- Cas Number:
- 5934-29-2
- Molecular formula:
- C6-H9-N3-O2.Cl-H.H2-O
- IUPAC Name:
- L-Histidine Hydrochloride Monohydrate
- Test material form:
- solid: crystalline
- Details on test material:
- - Name: L-Histidine Hydrochloride Monohydrate (HHM)
- Appearance: White crystals or crystalline powder
- Batch: P817T011
- CAS no.: 5934-29-2
- Purity/Composition: 100.1%
- Molecular weight: 209.63 g/mol
- Test item storage: room temperature
- Expiry date: 31 October 2020
Constituent 1
- Specific details on test material used for the study:
- SMILES : O=C(O)C(N)Cc(ncn1)c1
Results and discussion
% Degradation
- Key result
- Parameter:
- other: Primary and ultimate biodegradability prediction: NO
- Remarks on result:
- other: QSAR calculation (BIOWIN)
- Details on results:
- Biowin1 (Linear Biodeg Probability): 0.9549
Biowin2 (Non-Linear Biodeg Probability): 0.9583
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
Biowin3 (Survey Model - Ultimate Biodeg): 3.1705
Biowin4 (Survey Model - Primary Biodeg): 3.9842
Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks
(Primary & Ultimate) 2.00 -> months 1.00 -> longer
Biowin5 (MITI Linear Biodeg Probability): 0.3751
Biowin6 (MITI Non-Linear Biodeg Probability): 0.2521
A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable
A Probability Less Than 0.5 indicates --> NOT Readily Degradable
Biowin7 (Anaerobic Linear Biodeg Prob): 0.7216
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: No
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): Does Not Biodegrades Fast
Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrades Fast
Biowin7 (Anaerobic Model Prediction): Biodegrades Fast
Ready Biodegradability Prediction: NO
Applicant's summary and conclusion
- Conclusions:
- L-Histidine Hydrochloride Monohydrate (HHM) is predicted to not be readily biodegradable by the (Q)SAR model BIOWIN v4.10.
- Executive summary:
L-Histidine Hydrochloride Monohydrate (HHM) is predicted to not be readily biodegradable by the (Q)SAR model BIOWIN v4.10.
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