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EC number: 204-494-0 | CAS number: 121-71-1
- 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)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data is from computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- The Biodegradation Probability Program (BIOWIN) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms .The model is part of the EpiSuite program of the US-EPA. Estimations are made with BIOWIN version 4.10Estimates are based upon fragment constants that were developed using multiple linear and non-linear regression analyses. Experimental biodegradation data for the multiple linear and non-linear regressions were obtained from Syracuse Research Corporation's (SRC) data base of evaluated biodegradation data (Howard et. al., 1987). 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 - 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):
- 3.669 d
- 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.
- Key result
- Parameter:
- other: Half-life
- Value:
- 50
- Sampling time:
- 3.669 d
- Remarks on result:
- other: Other details not known
- Details on results:
- Biowin1 (Linear Model Prediction) :0.8054: Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): 0.8221: Biodegrades Fast
Biowin3 (Ultimate Biodegradation Timeframe): 2.9322: Weeks
Biowin4 (Primary Biodegradation Timeframe): 3.6688: Days-Weeks
Biowin5 (MITI Linear Model Prediction) : 0.5223: Biodegrades Fast
Biowin6 (MITI Non-Linear Model Prediction): 0.6028: Biodegrades Fast
Biowin7 (Anaerobic Model Prediction): 0.0636: Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES - Validity criteria fulfilled:
- not specified
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The biodegradability of the substance was calculated using seven different Biowin 1-7 models of the BIOWIN v4.10 software. The results indicate that 3'-Hydroxyacetophenone is 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 3'-Hydroxyacetophenone (CAS no. 121 -71 -1) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that 3'-Hydroxyacetophenone is expected to be readily biodegradable.
Reference
BIOWIN (v4.10) Program Results:
==============================
SMILES : O=C(c(cccc1O)c1)C
CHEM : Ethanone, 1-(3-hydroxyphenyl)-
MOL FOR: C8 H8 O2
MOL WT : 136.15
--------------------------- 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) : 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 | 1 | Aromatic alcohol [-OH] | 0.1158 | 0.1158
Frag | 1 | Ketone [-C-C(=O)-C-] | 0.0068 | 0.0068
MolWt| * | Molecular Weight Parameter | | -0.0648
Const| * | Equation Constant | | 0.7475
============+============================================+=========+=========
RESULT | Biowin1 (Linear Biodeg Probability) | | 0.8054
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Aromatic alcohol [-OH] | 0.9086 | 0.9086
Frag | 1 | Ketone [-C-C(=O)-C-] | -0.4530 | -0.4530
MolWt| * | Molecular Weight Parameter | | -1.9334
============+============================================+=========+=========
RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.8221
============+============================================+=========+=========
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 | Aromatic alcohol [-OH] | 0.0564 | 0.0564
Frag | 1 | Ketone [-C-C(=O)-C-] | -0.0225 | -0.0225
MolWt| * | Molecular Weight Parameter | | -0.3009
Const| * | Equation Constant | | 3.1992
============+============================================+=========+=========
RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.9322
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Aromatic alcohol [-OH] | 0.0397 | 0.0397
Frag | 1 | Ketone [-C-C(=O)-C-] | -0.0222 | -0.0222
MolWt| * | Molecular Weight Parameter | | -0.1964
Const| * | Equation Constant | | 3.8477
============+============================================+=========+=========
RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.6688
============+============================================+=========+=========
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 | Aromatic alcohol [-OH] | 0.0642 | 0.0642
Frag | 1 | Ketone [-C-C(=O)-C-] | 0.1177 | 0.1177
Frag | 4 | Aromatic-H | 0.0082 | 0.0329
Frag | 1 | Methyl [-CH3] | 0.0004 | 0.0004
MolWt| * | Molecular Weight Parameter | | -0.4051
Const| * | Equation Constant | | 0.7121
============+============================================+=========+=========
RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.5223
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Aromatic alcohol [-OH] | 0.4884 | 0.4884
Frag | 1 | Ketone [-C-C(=O)-C-] | 0.8334 | 0.8334
Frag | 4 | Aromatic-H | 0.1201 | 0.4806
Frag | 1 | Methyl [-CH3] | 0.0194 | 0.0194
MolWt| * | Molecular Weight Parameter | | -3.9305
============+============================================+=========+=========
RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.6028
============+============================================+=========+=========
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 | Aromatic alcohol [-OH] | 0.0807 | 0.0807
Frag | 1 | Ketone [-C-C(=O)-C-] | -0.3919 | -0.3919
Frag | 4 | Aromatic-H | -0.0954 | -0.3817
Frag | 1 | Methyl [-CH3] | -0.0796 | -0.0796
Const| * | Equation Constant | | 0.8361
============+============================================+=========+=========
RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.0636
============+============================================+=========+=========
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 3'-Hydroxyacetophenone (CAS no. 121 -71 -1) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that 3'-Hydroxyacetophenone is expected to be readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
Additional information
Various predicted data for the test compound3'-Hydroxyacetophenone(CAS No. 121-71-1) and 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 3'-Hydroxyacetophenone (CAS no. 121 -71 -1) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that 3'-Hydroxyacetophenone is expected to be readily biodegradable.
Biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of read across substance 4-Hydroxybenzoic acid (CAS no. 99-96-7) (J-CHECK, 2016). Concentration of inoculum i.e, sludge used was 30 mg/l and initial substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 90% by BOD and 100% by both TOC removal and HPLC in 14 days. Thus, based on percentage degradation, 4 -Hydroxybenzoic acid was considered to be readily biodegradable in nature.
Biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of read across substance Phenol (CAS no. 108-95-2) (J-CHECK, 2016). Concentration of inoculum i.e, sludge used was 30 mg/l and initial substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 85% by BOD, 95% by TOC removal and 100% by UV-Vis in 14 days. Thus, based on percentage degradation, Phenol was considered to be readily biodegradable in nature.
Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across 3-Ethylphenol (CAS no. 620-17-7) (J-CHECK, 2016). Concentration of inoculum i.e, sludge used was 30 mg/l and initial substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 92% by BOD, 98%by TOC removal and 100% by HPLC in 28 days. Thus, based percentage degradation, 3-Ethylphenol was considered to be readily biodegradable in nature.
Biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of read across substance Salicylic acid (CAS no. 69-72-7) (J-CHECK, 2016). Concentration of inoculum i.e, sludge used was 30 mg/l and initial substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 88.1% by BOD, 97.6% by TOC removal and 100% by both UV-Vis and HPLC in 14 days. Thus, based on percentage degradation, Salicylic acid was considered to be readily biodegradable in nature.
Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance Phenol (CAS no. 108-95-2) by bacteria as a test inoculum (Takashi Kameya et. al; 1995). Seeding bacteria was used as a test inoculum. The seeding bacteria had been cultured in a continuous anaerobic bioreactor at 37 + 1°C.Synthetic sewage, composed of glucose, peptone and corn steap liquor (carbon ratio = 1:1:2), is supplied into the reactor (3.0 g-C/l, 8.0 g-CS./.d). In this culture, > 95% acidic decomposition and > 90% methanogenic decomposition are achieved.
A standard test using 50 ml vials (total capacity: 68 ml) was employed. Ten test vials were prepared under the same conditions, and they were set in a water bath at 37°C ± 0.5”C. The original solution was added to the test inoculum and organic medium in oxygen-free water. At the starting time and after every week, two vials were opened simultaneously, and the concentration of organic compound was analyzed. The concentration of organic compound was determined by dissolved organic carbon (DOC).Biodegradation ratio is determined by analysing the decrease of DOC in the standard test. Reproducibility is confirmed by the biodegradation ratio of benzoic acid being > 78% after 14 days.
The percentage degradation of the read across compound was determined to be less than 96% in 21 days in standard test Thus, based on the percentage degradation, the read across chemical Phenol was considered to be readily biodegradable in nature.
Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance Phenol (CAS no. 108-95-2) by anaerobic bacteria as a test inoculum (The Science of the Total Environment, Vol. 170, Pg. no. 31-41, 1995) . Two test were carried out by using different conc. of test chemical and inoculum. Anaerobic bacteria was used as a test inoculum. The cultivated bacteria was prepared for seeding as follows. The bacteria suspension was drowned, homogenized, and separated with a centrifuge at 3000 rev./min for 10 min. The deposit was washed by the basal medium solution and separated again with a centrifuge. The deposit was dissolved again in the basal medium solution and its concentration was determined. This original suspension of bacteria was seeded in the test vials and its concentration was reconfirmed. The seeding bacteria had been cultured by a synthetic sewage in a continuous bioreactor at 37 + 1°C. 100 and 30 mg/l conc. was used for both inoculum and test substance conc., respectively.
The test involve the use of 50 ml vials (total capacity: 68 ml). Ten test vials were prepared under the same conditions, and they were set in a water bath at 37°C ± 0.5”C. The original solution was added to the test inoculum and basal medium solution, which was prepared by organic medium and/or inorganic medium in oxygen-free water. At the starting time and after every week, two vials were opened simultaneously, and the concentration of organic compound was analyzed. The concentration of organic compound was determined by dissolved organic carbon (DOC) or chromatography. Biodegradation ratio is determined by analyzisng the decrease of DOC. The percentage degradation of the read across compound was determined to be 60% in test 1 and 55% in 7 days in test 2, respectively. Thus, based on the percentage degradation, the read across chemical Phenol was considered to be readily biodegradable under the given test conditions.
On the basis of above results for target and read across substance, it can be concluded that the test substance 3'-Hydroxyacetophenone can be expected to be readily biodegradable in nature.
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