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EC number: 210-296-5 | CAS number: 612-16-8
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_environmental-fate-and-pathways.png)
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Estimated data generated using the EPI Suite program developed by the USEPA.
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF (v3.01) model
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name (IUPAC name): (2-methoxyphenyl)methanol
- Common name: 2-Methoxybenzyl alcohol
- Molecular formula: C8H10O2
- Molecular weight: 136.165 mg/l
- Smiles:O(c1c(cccc1)CO)C
- InChI:1S/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
- Substance type:Organic
- Physical state: Liquid - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- not specified
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 25 deg.C
- Reference substance (positive control):
- not specified
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 1.435 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: Non-bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The bioconcentration factor (BCF) of (2-methoxyphenyl)methanol was estimated to be 1.435 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical (2-methoxyphenyl)methanol is not expected to bioaccumulate in the food chain.
- Executive summary:
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical (2-methoxyphenyl)methanol (CAS No. 612 -16 -8). The bioconcentration factor (BCF) of (2-methoxyphenyl)methanol was estimated to be 1.435 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical (2-methoxyphenyl)methanol is not expected to bioaccumulate in the food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : O(c(c(ccc1)CO)c1)C
CHEM : Benzenemethanol, 2-methoxy-
MOL FOR: C8 H10 O2
MOL WT : 138.17
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 0.16 (BCF = 1.44 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.0744 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 0.29 (BAF = 1.94 L/kg wet-wt)
Log Kow (experimental): 1.13
Log Kow used by BCF estimates: 1.13
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
Aromatic ring-CH-OH -0.256
Estimated Log BCF = 0.157 (BCF = 1.435 L/kg wet-wt)
Description of key information
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical (2-methoxyphenyl)methanol (CAS No. 612 -16 -8). The bioconcentration factor (BCF) of (2-methoxyphenyl)methanol was estimated to be 1.435 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical (2-methoxyphenyl)methanol is not expected to bioaccumulate in the food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 1.435 L/kg ww
Additional information
Various predicted data for the target compound (2-methoxyphenyl)methanol (CAS No. 612-16-8) and supporting weight of evidence study for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical (2-methoxyphenyl)methanol (CAS No. 612 -16 -8). The bioconcentration factor (BCF) of (2-methoxyphenyl)methanol was estimated to be 1.435 L/kg whole body w.w (at 25 deg C).
In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBCF of the test substance (2-methoxyphenyl)methanol was estimated to be 3.10, 3.09, 2.99 and 2.26 at pH 1-11, 12, 13 and 14, respectively.
Bioconcentration Factor (BCF) of test chemical (2-methoxyphenyl)methanol was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance (2-methoxyphenyl)methanol was estimated to be 4.51 at both pH 5.5 and 7.4, respectively.
Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical (2-methoxyphenyl)methano (CAS No. 612 -16 -8).The bioconcentration factor (BCF) of (2-methoxyphenyl)methanol was estimated to be 4.36 (at 25 deg C).
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test substance (2-methoxyphenyl)methanol was estimated to be 5.33 dimensionless . The predicted BCF result based on the 5 OECD principles.
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical Benzenemethanol (CAS no. 100-51-6),bioaccumulation experiment in fish was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical Benzenemethanol. The bioaccumulation factor (BCF) value was calculated using a logKow of 1.1 and a regression-derived equation. The estimated BCF (bioaccumulation factor) valueof Benzenemethanol was determined to be 1.4 dimensionless.
For the read across chemical (2RS)-3-(2-Methoxyphenoxy)propane-1,2-diol (CAS no. 93-14-1),the bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical (2RS)-3-(2-Methoxyphenoxy)propane-1,2-diol (CAS no. 93-14-1). The bioaccumulation factor (BCF) value was calculated using a logKow of 1.39 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of (2RS)-3 -(2 -Methoxyphenoxy)propane-1,2 -diol was determined to be 7.0 dimensionless.
On the basis of above results for target chemical(2-methoxyphenyl)methanol(from EPI suite, ACD labs,ChemSpider and CompTox Chemistry Dashboard, 2017) and for its read across substance from authoritative database (HSDB, 2017), it can be concluded that the BCF value of test substance(2-methoxyphenyl)methanolranges from 1.435 – 5.33 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical(2-methoxyphenyl)methanolis not expected to bioaccumulate in the food chain.
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