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EC number: 248-907-2 | CAS number: 28219-60-5
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Estimated data generated using the EPI Suite model developed by the USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- BIOWIN estimates the probability of rapid aerobic and anaerobic biodegradation of an organic compound in the presence of mixed populations of environmental microorganisms. BIOWIN contains seven separate models. This version (v4.10) designates the models as follows (see also Boethling et al. 2003):
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
Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. - GLP compliance:
- not specified
- Oxygen conditions:
- other: aerobic (Biowin 1-6) and anaerobic (Biowin 7)
- Inoculum or test system:
- other: mixed populations of environmental microorganisms
- Duration of test (contact time):
- 2.718 wk
- Details on study design:
- Using the computer tool BIOWIN v4.10 by US-EPA (EPIWIN) the aerobic as well as the anaerobic biodegradability of the test material can be estimated. The follwoing seven different models are used by the tool: Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (calles Biowin 1-7, respectively). Due to this results the overall prediction of readily biodegradability is done for the desired chemical.
- Parameter:
- other: Half-life
- Value:
- 50
- Sampling time:
- 2.718 wk
- Remarks on result:
- other: Other details not known
- Details on results:
- Biowin1 (Linear Model Prediction) : 0.6298: Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): 0.4119: Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): 2.7176: Weeks-Months
Biowin4 (Primary Biodegradation Timeframe): 3.5434: Days-Weeks
Biowin5 (MITI Linear Model Prediction) : 0.5078: Biodegrades Fast
Biowin6 (MITI Non-Linear Model Prediction): 0.3589: Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): 0.1407: Does Not Biodegrade Fast
Ready Biodegradability Prediction: NO - Validity criteria fulfilled:
- not specified
- Interpretation of results:
- under test conditions no biodegradation observed
- Conclusions:
- The screening test ready biodegradability of the substance was calculated using the software BIOWIN v4.10.
The results indicate that 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)- is not expected to be readily biodegradable. - Executive summary:
Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)- (CAS no. 28219 -60 -5). The screening tests ready biodegradability of the test substance was calculated using the software BIOWIN v4.10. The results indicate that 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)- is not expected to
be readily biodegradable in nature.
Reference
BIOWIN (v4.10) Program Results:
==============================
SMILES : OCC(=CCC(C(C(=C1)C)(C)C)C1)C
CHEM : 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
MOL FOR: C13 H22 O1
MOL WT : 194.32
--------------------------- BIOWIN v4.10 Results ----------------------------
Biowin1 (Linear Model Prediction) : Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months
Biowin4 (Primary Biodegradation Timeframe): Days-Weeks
Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast
Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: NO
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Aliphatic alcohol [-OH] | 0.1587 | 0.1587
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -0.1839 | -0.1839
MolWt| * | Molecular Weight Parameter | | -0.0925
Const| * | Equation Constant | | 0.7475
============+============================================+=========+=========
RESULT | Biowin1 (Linear Biodeg Probability) | | 0.6298
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Aliphatic alcohol [-OH] | 1.1178 | 1.1178
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -1.7232 | -1.7232
MolWt| * | Molecular Weight Parameter | | -2.7593
============+============================================+=========+=========
RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.4119
============+============================================+=========+=========
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 | 1 | Aliphatic alcohol [-OH] | 0.1600 | 0.1600
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -0.2121 | -0.2121
MolWt| * | Molecular Weight Parameter | | -0.4294
Const| * | Equation Constant | | 3.1992
============+============================================+=========+=========
RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.7176
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Aliphatic alcohol [-OH] | 0.1294 | 0.1294
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -0.1534 | -0.1534
MolWt| * | Molecular Weight Parameter | | -0.2804
Const| * | Equation Constant | | 3.8477
============+============================================+=========+=========
RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.5434
============+============================================+=========+=========
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 | 1 | Aliphatic alcohol [-OH] | 0.1611 | 0.1611
Frag | 1 | Carbon with 4 single bonds & no hydrogens | 0.0676 | 0.0676
Frag | 4 | Methyl [-CH3] | 0.0004 | 0.0016
Frag | 2 | -CH2- [linear] | 0.0494 | 0.0988
Frag | 1 | -CH2- [cyclic] | 0.0197 | 0.0197
Frag | 1 | -CH - [cyclic] | 0.0124 | 0.0124
Frag | 2 | -C=CH [alkenyl hydrogen] | 0.0062 | 0.0124
MolWt| * | Molecular Weight Parameter | | -0.5781
Const| * | Equation Constant | | 0.7121
============+============================================+=========+=========
RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.5078
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Aliphatic alcohol [-OH] | 1.0041 | 1.0041
Frag | 1 | Carbon with 4 single bonds & no hydrogens | 0.3990 | 0.3990
Frag | 4 | Methyl [-CH3] | 0.0194 | 0.0777
Frag | 2 | -CH2- [linear] | 0.4295 | 0.8590
Frag | 1 | -CH2- [cyclic] | 0.2365 | 0.2365
Frag | 1 | -CH - [cyclic] | -0.1295 | -0.1295
Frag | 2 | -C=CH [alkenyl hydrogen] | 0.0285 | 0.0570
MolWt| * | Molecular Weight Parameter | | -5.6098
============+============================================+=========+=========
RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.3589
============+============================================+=========+=========
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 | 1 | Aliphatic alcohol [-OH] | 0.1328 | 0.1328
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -0.3342 | -0.3342
Frag | 4 | Methyl [-CH3] | -0.0796 | -0.3183
Frag | 2 | -CH2- [linear] | 0.0260 | 0.0520
Frag | 1 | -CH2- [cyclic] | -0.1200 | -0.1200
Frag | 1 | -CH - [cyclic] | 0.0395 | 0.0395
Frag | 2 | -C=CH [alkenyl hydrogen] | -0.0735 | -0.1470
Const| * | Equation Constant | | 0.8361
============+============================================+=========+=========
RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.1407
============+============================================+=========+=========
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
Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)- (CAS no. 28219 -60 -5). The screening tests ready biodegradability of the test substance was calculated using the software BIOWIN v4.10. The results indicate that 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3 cyclopenten-1-yl)- is not expected to be readily biodegradable in nature.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
Predicted data for the test compound2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-(CAS No. 28219-60-5) and the study for its read across substance were reviewed for the biodegradation end point which are summarized as below:
Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)- (CAS no. 28219 -60 -5). The screening tests ready biodegradability of the test substance was calculated using the software BIOWIN v4.10. The results indicate that 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3 cyclopenten-1-yl)- is not expected to be readily biodegradable in nature.
Biodegradation study was conducted for 10 days for evaluating the percentage biodegradability of test substance Terpineol (A. D. READ and R. M. MANSER, 1976). Test chemical concentration used in the study were1, 2, 5 and 10 mg/l expressed as TOC. Solutions of test chemical were diluted to the required concentrations with oxygen- saturated water and then inoculated with domestic sewage at the beginning of the test period. The BOD5 and BOD10 value was determined to be 0.4 and 1.5 mg/l oxygen consumption/g test material. Thus, the substance Terpineol is not considered to be readily biodegradable in water.
Biodegradation study was conducted (A. J. FRANCIS et. al; 1980) for 30 days for evaluating the percentage biodegradability of test substance alpha-Terpineol. Mixed bacterial culture was used as a test inoculum and the study was performed under anaerobic conditions and at a temp. of 28ᵒC. Inoculum was isolated from Leachate samples collected from trenches 26 and 32 from Maxey Flats, Ky., were filter sterilized. Initial test substance conc. used in the study was0.16 and 0.26 mg/l, respectively. A mixed culture of bacteria isolated from each of the two trenches was used to inoculate 100 ml of the respective filter-sterilized trench waters in serum bottles filled with N2. Uninoculated, filter sterilized control samples were incubated under identical conditions. After 30 days of incubation at 28°C, the inoculated and the control samples were analysed for the organic constituents by gas chromatography and mass spectrometry. The percentage degradation of the test chemical was determined to be -6 and -12% by GC-MS parameter in 30 days. Thus, the substance alpha-Terpineol is not considered to be readily biodegradable in water.
Biodegradation study was conducted (A. J. Francis, 1980) for 21 days for evaluating the percentage biodegradability of test substance alpha-Terpineol.Mixed bacterial culture was used as a test inoculum and the study was performed under aerobic conditions and at a temp. of 28ᵒC. Inoculum was isolated from Leachate samples collected from Maxey Flats trench 19S.Sterile mineral salt medium was used for the study. Alpha-terpineol, 0.04% vol/vol or wt/vol, was separately added to 50 ml of sterile mineral salts medium in biometer flasks. This sample was inoculated with 0.2 ml of mixed bacterial culture obtained from Maxey Flats 19S leachate. All samples, in duplicate, were incubated under aerobic conditions at room temperature. The carbon dioxide produced by these samples was absorbed by the alkali and determined volumetrically on a periodic basis. Aerobic samples were incubated in 500-ml sterilized Erlenmeyer flasks fitted with cotton plugs on a rotary shaker at 28°C for 21 days. No degradation of the test chemical was determined by CO2 production parameter in 21 days. Thus, the substance alpha-Terpineolis not considered to be readily biodegradable in water.
On the basis of above results for target and read across substance, it can be concluded that the test substance2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-can be expected to be not readily biodegradable in nature.
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