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EC number: 200-309-2 | CAS number: 57-06-7
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Principles of method if other than guideline:
- 1-octanol containing 500 mg /l of AITC was prepared as stock mixture.
Different volumes of the stock mixture, ranging from 0.1 to 1.0 ml, were poured into the tubes.
The tubes were immediately filled with distilled water, closed with gas-tight Teflon caps, and placed in the agitated water bath at different temperatures (4, 10, 20, 30, 40,and 50°C) for 12 h.
A volume of 15 ml of the water layer was drawn off into the 20 ml vial and mixed with 1 ml of hexane to extract Allyl Isothiocyanate, followed by immediately sealing the vial gas-tightly with a silicon septum.
The vials were heated at 60° C for 15 min in the water bath and placed at refrigerated temperature until complete phase separation.
An aliquot of 1 µl of the hexane layer was injected to GC to obtain Aq values.(Aq = gas chromatographic peak area of AITC in water phase at equilibrium) - GLP compliance:
- not specified
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Allyl Isothiocyanate purity: >98%
- Analytical method:
- gas chromatography
- Type:
- Pow
- Partition coefficient:
- 29.77
- Temp.:
- 10 °C
- pH:
- 7
- Type:
- Pow
- Partition coefficient:
- 67.2
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- Pow
- Partition coefficient:
- 130.23
- Temp.:
- 30 °C
- pH:
- 7
- Type:
- Pow
- Partition coefficient:
- 173.8
- Temp.:
- 40 °C
- pH:
- 7
- Details on results:
- The affinity of Allyl isothiocyanate to octanol was found to be stronger than that to water and the octanol-preference became stronger with temperature (increase in Pow).
- Conclusions:
- Partition coefficient octanol-water of Allyl Isothiocyanate is 67.20 (Log Kow = 1.83) at 20°C.
Reference
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.83
- at the temperature of:
- 20 °C
Additional information
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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