Registration Dossier
Registration Dossier
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EC number: 232-489-3 | CAS number: 8052-41-3 A colorless, refined petroleum distillate that is free from rancid or objectionable odors and that boils in a range of approximately 148.8°C to 204.4°C (300°F to 400°F).
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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: US EPA accepted QSAR method for chemicals properties assessment. Model considered valid by OECD
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- QSAR-BioWin v 4.10
- GLP compliance:
- no
- Remarks:
- not applicable. QSAR model
- Oxygen conditions:
- other: QSAR
- Inoculum or test system:
- other: QSAR
- Details on inoculum:
- QSAR
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- other: Ready Biodegradability Prediction: YES
- Details on results:
- --------------------------- BIOWIN v4.10 Results ----------------------------
Biowin1 (Linear Model Prediction) : Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): Biodegrades Fast
Biowin3 (Ultimate Biodegradation Timeframe): Days-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): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES - Validity criteria fulfilled:
- yes
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The BIOWIN QSAR predicts that the substance Stoddard solvent will be readily biodegradable.
- Executive summary:
The estimated Biodegradetion in Water was measured by calculation from EPI SuiteTM v4.1/BIOWIN v4.10 Program and Ready Biodegradation was predicted. This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
BIOWIN v4.10 Results
Biowin1 (Linear Model Prediction) : Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): Biodegrades Fast
Biowin3 (Ultimate Biodegradation Timeframe): Days-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): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- GLP compliance:
- not specified
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge (adaptation not specified)
- Details on inoculum:
- This test was carried out according to the guidelines of OECD Guide-line 301 B "Ready Biodegradability: Modified Sturm Test (CO2 evolution)"
All the tests were carried out in duplicate over a period of 28 days at a temperature of 20 deg C. - Duration of test (contact time):
- 28 d
- Initial conc.:
- 45 mg/L
- Based on:
- ThOD
- Parameter followed for biodegradation estimation:
- O2 consumption
- Details on study design:
- Test substance concentration was approximately 45 mg/L.
Sodium benzoate (positive control) concentration was 50 mg/L.
Test temperature was 21 +/- 1 Deg C.
All test vessels were stirred constantly for 28 days using magnetic stir bars and plates. - Reference substance:
- other: Sodium benzoate
- Preliminary study:
- Not applicable, since no preliminary study was performed.
- Test performance:
- No unusual observations or any other information provided
- Parameter:
- % degradation (O2 consumption)
- Value:
- 55
- Sampling time:
- 5 d
- Remarks on result:
- other: %ThOD
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 60
- Sampling time:
- 10 d
- Remarks on result:
- other: %ThOD
- Parameter:
- % degradation (CO2 evolution)
- Value:
- > 63
- Sampling time:
- 28 d
- Remarks on result:
- other: %ThOD
- Details on results:
- The formula of the Stoddard solvent was considered as C10H22 (relative molecular mass, 142), leading to a theoretical oxygen demand of 3.49 mg oxygen per mg and a theoretical carbon dioxide evolution of 3.10 mg CO2 per mg. The white spirit was degraded by 55-63% in the Stum test (guideline 301B)
- Results with reference substance:
- By day 3, >60% biodegradation of positive control was observed, which meets the guideline requirement.
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Degradation: >63% after 28 day(s) , the substance is considered to be readily biodegradable.
- Executive summary:
Data of studies are demonstrating rapid biodegradation of Stoddard solvent under aerobic conditions.
The result is that it was achieved 63% degradation after 28 days. This test was carried out according to the guidelines of OECD Guide-line 301 B "Ready Biodegradability: Modified Sturm Test (CO2 evolution)"
Referenceopen allclose all
BIOWIN (v4.10) Program Results:
==============================
SMILES : CCCCCCCCCC
CHEM : Stoddard solvent
MOL FOR: C10 H22
MOL WT : 142.29
--------------------------- BIOWIN v4.10 Results ----------------------------
Biowin1 (Linear Model Prediction) : Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): Biodegrades Fast
Biowin3 (Ultimate Biodegradation Timeframe): Days-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): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Linear C4 terminal chain [CCC-CH3] | 0.1084 | 0.2169
MolWt| * | Molecular Weight Parameter | | -0.0677
Const| * | Equation Constant | | 0.7475
============+============================================+=========+=========
RESULT | Biowin1 (Linear Biodeg Probability) | | 0.8967
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Linear C4 terminal chain [CCC-CH3] | 1.8437 | 3.6874
MolWt| * | Molecular Weight Parameter | | -2.0205
============+============================================+=========+=========
RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.9908
============+============================================+=========+=========
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 | Linear C4 terminal chain [CCC-CH3] | 0.2983 | 0.5967
MolWt| * | Molecular Weight Parameter | | -0.3144
Const| * | Equation Constant | | 3.1992
============+============================================+=========+=========
RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 3.4814
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Linear C4 terminal chain [CCC-CH3] | 0.2691 | 0.5381
MolWt| * | Molecular Weight Parameter | | -0.2053
Const| * | Equation Constant | | 3.8477
============+============================================+=========+=========
RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 4.1806
============+============================================+=========+=========
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 | Methyl [-CH3] | 0.0004 | 0.0008
Frag | 8 | -CH2- [linear] | 0.0494 | 0.3953
MolWt| * | Molecular Weight Parameter | | -0.4233
Const| * | Equation Constant | | 0.7121
============+============================================+=========+=========
RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.6850
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Methyl [-CH3] | 0.0194 | 0.0389
Frag | 8 | -CH2- [linear] | 0.4295 | 3.4360
MolWt| * | Molecular Weight Parameter | | -4.1076
============+============================================+=========+=========
RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.8691
============+============================================+=========+=========
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 | Linear C4 terminal chain [CCC-CH3] | -0.3177 | -0.6355
Frag | 2 | Methyl [-CH3] | -0.0796 | -0.1591
Frag | 8 | -CH2- [linear] | 0.0260 | 0.2079
Const| * | Equation Constant | | 0.8361
============+============================================+=========+=========
RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.2494
============+============================================+=========+=========
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.
Description of key information
The BIOWIN QSAR predicts that the substance Stoddard solvent will be readily biodegradable.
Data of studies are demonstrating rapid biodegradation of Stoddard solvent under aerobic conditions.
The result is that it was achieved 63% degradation after 28 days. This test was carried out according to the guidelines of OECD Guide-line 301 B "Ready Biodegradability: Modified Sturm Test (CO2 evolution)"
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
Additional information
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