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EC number: 203-439-8 | CAS number: 106-89-8
- 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
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- not applicable
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Not GLP, accepted calculation method
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 001
Materials and methods
- Model:
- other: Mackay Level I (version 2.11) and III (version 2.70)
- Calculation programme:
- Mackay, D., 2002. Multimedia Environmental Models: The Fugacity Approach. Lewis Publishers, CRC Press, Boca Raton, FL. Models available at: http://www.trentu.ca/cemc/models.html
- Release year:
- 2 002
- Media:
- other: air-water-soil-sediment
Test material
- Reference substance name:
- 1-chloro-2,3-epoxypropane
- EC Number:
- 203-439-8
- EC Name:
- 1-chloro-2,3-epoxypropane
- Cas Number:
- 106-89-8
- Molecular formula:
- C3H5ClO
- IUPAC Name:
- 2-(chloromethyl)oxirane
- Details on test material:
- Epichlorohydrin
Constituent 1
Study design
- Test substance input data:
- Input Parameters for Level I
Property Value Source
Data Temperature (C): 25 (Default environmental temperature)
Chemical Type: 1 (Type I indicates chemical can partition into all environmental parameters)
Molecular Mass (g/mol): 92.52 (Calculated from molecular structure)
Water Solubility (g/m3): 6.6 x 10(4) (Measured value[1])
Vapor Pressure @ 25C (Pa): 2,270 (Measured value [2])
Melting Point (C): -57 (Measured value [3])
Estimated Henry's Law Constant (H) 3.18 (Calculated by Level I Fugacity Model [4])
(Pa m3/mol)
Log Kow 0.45 (Measured value [5])
Octanol-Water Partition Coefficient
Simulated Emission (kg): 100,000 (Level I Model Default Value [4])
Dimensions of simulated environment: - (Level I Model Default Values [4])
References
1. Yalkowsky, S.H., Valvani, S. C., Kuru, W., and Dannenfelser, R. (1987) AQUASOL Database of Aqueous Solubility. University of Arizona, College of Pharmacy, Tucson, AZ.
2. Daubert, T.E. and Danner, R.P. (1985). Data compilation tables of properties of pure compounds. American Institute of Chemical Engineers, New York, NY. pp. 450
3. Riesser, G.H. (1979). Chlorohydrins in: Kirk-Othmer Encyclopedia of Chemical Technology, 3rd Ed. Wiley Interscience, New York, NY.
4. Mackay, D., 2001. Multimedia Environmental Models: The Fugacity Approach. Lewis Publishers, CRC Press, Boca Raton, FL. Models available at: http://www.trentu.ca/ccmc/models/html
5. Deener, J.W., Sinnige, T.L., Seinen, W., and Hermens, J.L.M. (1988). A quantitative structure-activity relationship for the acute toxicity of some epoxy compounds to the guppy. Aquatic Toxicol. 13(3):195-204.
Level III: Reaction Half-lives (hr) (Additional Input for Level III Model)
Property Value Source
Molecular Mass (g/mol): 92.52 (Calculated from molecular structure)
Water Solubility (g/m3): 6.6 x 10(4) (Measured value[1])
Vapor Pressure @ 25C (Pa): 2,270 (Measured value [2])
Melting Point (C): -57 (Measured value [3])
Estimated Henry's Law Constant (H) 3.18 (Calculated by Level I Fugacity Model [4])
(Pa m3/mol)
Log Kow 0.45 (Measured value [5])
Octanol-Water Partition Coefficient
Air (vapor phase): 227 (Estimated half-life for indirect photolysis)
Water (no susp. solids): 360* (Half-lives in water, soil, and sediment extrapolated
Soil 720* from measured ready biodegradability
Sediment: 7200* in the Modified METI Test)
Suspended Sediment: **1.0 x 10(11) (Not expected to adsorb to susp. sediment
Fish: **1.0 x 10(11) (No uptake/bioaccumulation is expected)
Aerosol: **1.0 x 10(11) (Aerosol emissions not expected)
* Half-lives extrapolated from ready biodegradability classification, according to Technical Guidance of the European Commission
** Default values used in Level III model when reaction is expected to be negligible in this compartment
References
1. Yalkowsky, S.H., Valvani, S. C., Kuru, W., and Dannenfelser, R. (1987) AQUASOL Database of Aqueous Solubility. University of Arizona, College of Pharmacy, Tucson, AZ.
2. Daubert, T.E. and Danner, R.P. (1985). Data compilation tables of properties of pure compounds. American Institute of Chemical Engineers, New York, NY. pp. 450
3. Riesser, G.H. (1979). Chlorohydrins in: Kirk-Othmer Encyclopedia of Chemical Technology, 3rd Ed. Wiley Interscience, New York, NY.
4. Mackay, D., 2001. Multimedia Environmental Models: The Fugacity Approach. Lewis Publishers, CRC Press, Boca Raton, FL. Models available at: http://www.trentu.ca/ccmc/models/html
5. Deener, J.W., Sinnige, T.L., Seinen, W., and Hermens, J.L.M. (1988). A quantitative structure-activity relationship for the acute toxicity of some epoxy compounds to the guppy. Aquatic Toxicol. 13(3):195-204. - Environmental properties:
- see above
Results and discussion
Percent distribution in media
- Other distribution results:
- Level I (100,000 kg total emmissions): Air-39% (39000 kg), Water 60.8% (61000 kg), Soil 0.2% (150 kg)and Sediment 3.4 X 10(-3) %(3.4 kg)
Level III (1,000 kg/hr to air): Air 83.7% (2000 kg), Water 7.2% (170 kg), Soil 9.1% (210 kg) and Sediment 2.9 x 10(-3) (0.07 kg)
Level III (1,000 kg/hr to water): Air 5.6 x 10(-2%) (180 kg), Water 99.9% ((310000 kg), Soil 6.1 x 10(-3%) (19.0 kg) and Sediment 4.1 x 10(-2%) (130 kg)
Level III (1,000kg/hr to soil): Air 0.2% (680 kg), Water 32.1% (130000 kg), Soil 67.7% (280000 kg) and Sediment 1.3 x 10(-2%) (54.4 kg)
Level III (1,000 kg/hr simultaneously to air, water and soil): Air 0.4% 2800 kg), Water 61.1% (450000 kg), Soil 38.5% (280000 kg) and Sediment 2.5 x 10(-2)% (180 kg)
Any other information on results incl. tables
Level 1: This material has moderate water solubility, moderate vapor pressure, and a low log Kow. In the absence of advective and reactive fate processes, these physical properties dictate that the material will partition almost exclusively to the water and air compartments at equilibrium.
Level III: This material has moderate water solubility, moderate vapor pressure, and a low log Kow. These properties dictate that the material has low potential to volatilize from water to air, or adsorb to soil and sediments. When released to air, the material will remain in air, with rapid dissipation occurring through advection and photochemical reaction. When released to water, the material will remain dissolved in water and will be rapidly degraded through biodegradation and hydrolysis reactions. When released to soil, the material will be primarily dissolved in soil pore water (groundwater), and will be rapidly degraded through biodegradation and hydrolysis reactions. Since the material is susceptible to destructive reactions such as indirect photolysis, biodegradation, and hydrolysis, this material is expected to be short-lived in the environment.
Applicant's summary and conclusion
- Conclusions:
- This material has moderate water solubility, moderate vapor pressure, and a low log Kow. These properties dictate that the material has low potential to volatilize from water to air, or adsorb to soil and sediments. When released to air, the material will remain in air, with rapid dissipation occurring through advection and photochemical reaction. When released to water, the material will remain dissolved in water and will be rapidly degraded through biodegradation and hydrolysis reactions. When released to soil, the material will be primarily dissolved in soil pore water (groundwater), and will be rapidly degraded through biodegradation and hydrolysis reactions. Since the material is susceptible to destructive reactions such as indirect photolysis, biodegradation, and hydrolysis, this material is expected to be short-lived in the environment.
- Executive summary:
Mackay Level I and III Fugacity Models were calculated for Epichlorohydrin. This material has moderate water solubility, moderate vapor pressure, and a low log Kow. These properties dictate that the material has low potential to volatilize from water to air, or adsorb to soil and sediments. When released to air, the material will remain in air, with rapid dissipation occurring through advection and photochemical reaction. When released to water, the material will remain dissolved in water and will be rapidly degraded through biodegradation and hydrolysis reactions. When released to soil, the material will be primarily dissolved in soil pore water (groundwater), and will be rapidly degraded through biodegradation and hydrolysis reactions. Since the material is susceptible to destructive reactions such as indirect photolysis, biodegradation, and hydrolysis, this material is expected to be short-lived in the environment.
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