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Diss Factsheets
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EC number: 222-598-4 | CAS number: 3547-33-9
- 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:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Estimated by calculation using EPI Suite (v. 4.10) Quantitative Structure Activity Relationship (QSAR) computer model. EPI Suite has undergone detailed review by a panel of EPA’s independent Science Advisory Board (SAB) (http://www.epa.gov/sab/).
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Model
- Title:
- EPI Suite TM
- Author:
- United States Environmental Protection Agency, Office of Pollution Prevention and Toxics and Syracuse Research Corporation
- Year:
- 2 011
- Bibliographic source:
- http://www.epa.gov/oppt/exposure/pubs/episuite.htm
- Report date:
- 2011
Materials and methods
- Model:
- other: Level III fugacity model
- Calculation programme:
- Fugacity was determined using EQC Level III model as found in EPIWIN v4.10. Equal emission to air, water, and soil were assumed. All parameters used in the calculation were the default values found in EPIWIN. Half-lives were based upon BIOWIN v.4.10 (Ultimate and AOPWIN v.1.92 found in EPIWIN v4.10.
- Release year:
- 2 008
- Media:
- other: Air, water, soil, and sediment
Test material
- Reference substance name:
- Ethanol, 2-(octylthio)-
- IUPAC Name:
- Ethanol, 2-(octylthio)-
- Reference substance name:
- 2-(octylthio)ethanol
- EC Number:
- 222-598-4
- EC Name:
- 2-(octylthio)ethanol
- Cas Number:
- 3547-33-9
- Molecular formula:
- C10H22OS
- IUPAC Name:
- 2-(octylsulfanyl)ethan-1-ol
- Reference substance name:
- Hydroxyethyl octyl sulfide
- IUPAC Name:
- Hydroxyethyl octyl sulfide
Constituent 1
Constituent 2
Constituent 3
Results and discussion
Percent distribution in media
- Air (%):
- 0.61
- Water (%):
- 24.6
- Soil (%):
- 74.5
- Sediment (%):
- 0.26
- Other distribution results:
- Level III Fugacity Model (Full-Output):
Chem Name : Ethanol, 2-(octylthio)-
Molecular Wt: 190.35
Henry's LC : 1.9e-007 atm-m3/mole (Henrywin program)
Vapor Press : 0.000315 mm Hg (Mpbpwin program)
Liquid VP : 0.000435 mm Hg (super-cooled)
Melting Pt : 39.1 deg C (Mpbpwin program)
Log Kow : 3.64 (Kowwin program)
Soil Koc : 232 (KOCWIN MCI method)
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.614 7.98 1000
Water 24.6 360 1000
Soil 74.5 720 1000
Sediment 0.262 3.24e+003 0
Fugacity Reaction Advection Reaction Advection
(atm) (kg/hr) (kg/hr) (percent) (percent)
Air 1.16e-011 788 90.7 26.3 3.02
Water 1.81e-012 699 363 23.3 12.1
Soil 1.04e-011 1.06e+003 0 35.3 0
Sediment 1.47e-012 0.827 0.0774 0.0276 0.00258
Persistence Time: 492 hr
Reaction Time: 580 hr
Advection Time: 3.25e+003 hr
Percent Reacted: 84.9
Percent Advected: 15.1
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 7.98
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 3.237 (weeks)
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Applicant's summary and conclusion
- Conclusions:
- Assuming equal distribution to air, water, and soil, the Level III Fugacity model found in EPIWIN v4.10 indicates distribution as follows: Air: 0.614%, Water: 24.6%, Soil: 74.5%; Sediment: 0.262%.
Half-lives (hr) based on BIOWIN (Ultimate) and AOPWIN: Air: 7.98 h, Water: 360 h, Soil: 720 h, Sediment: 3240 h.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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