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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
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 1969
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
Data source
Reference
- Reference Type:
- publication
- Title:
- Decomposition of Allyl Isothiocyanate in Aqueous Solution
- Author:
- Shunro KAWAKISHI and Mitsuo NAMIKI
- Year:
- 1 969
- Bibliographic source:
- Agr. Biol. Chem., Vol. 33, No. 3, p. 452-459, 1969
Materials and methods
- Principles of method if other than guideline:
- Allyl isothiocyanate was gradually decomposed in aqueous solution to produce a garlic like odor. Details are reported in the publication.
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Allyl isothiocyanate
- EC Number:
- 200-309-2
- EC Name:
- Allyl isothiocyanate
- Cas Number:
- 57-06-7
- Molecular formula:
- C4H5NS
- IUPAC Name:
- 3-isothiocyanatoprop-1-ene
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- Allyl isothiocyanate is gradually decomposed in aqueous solution to produce a garlic like odor. The decomposition of this isothiocyanate is not based on hydrolysis of R-NCS as in the case of p-hydroxybenzyl isothiocyanate, but the addition reaction on -N=C=S.
Four substances formed with the decomposition of the isothiocyanate were isolated, and their chemical constitutions were clarified. Allyl isothiocyanate was decomposed to allyl allyldithiocarbamate, which was degraded to diallyl tetra- and penta-sulfide, and this poly-sulfide was further degraded to paraffin like hydrocarbon and sulfur. Moreover, N,N'-diallylthiourea was produced by the addition reaction of allylamine, formed from the isothiocyanate by action of water, to residual isothiocyanate.
Results and discussion
- Transformation products:
- yes
Identity of transformation productsopen allclose all
- No.:
- #1
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- prop-2-enyl carbamodithioate
- Identifier:
- CAS number
- Identity:
- 50586-78-2
- No.:
- #2
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- 3-(prop-2-enyltetrasulfanyl)prop-1-ene
- Identifier:
- CAS number
- Identity:
- 2444-49-7
- No.:
- #3
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- 3-(prop-2-enylpentasulfanyl)prop-1-ene
- Identifier:
- CAS number
- Identity:
- 118686-45-6
- No.:
- #4
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- 1,3-bis(prop-2-enyl)thiourea
- Identifier:
- CAS number
- Identity:
- 6601-20-3
- No.:
- #5
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- prop-2-en-1-amine
- Inventory number:
- InventoryMultipleMappingImpl [inventoryEntryValue=EC 203-463-9]
- CAS number:
- 107-11-9
- Identity:
- 2-Propen-1-amine
- Identity:
- 2-propen-1-amine
- Molecular formula:
- C3H7N
- Molecular weight:
- 57.094
- SMILES notation:
- NCC=C
- InChl:
- InChI=1/C3H7N/c1-2-3-4/h2H,1,3-4H2
- No.:
- #6
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- n.a.
- No.:
- #6
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- sulfur
- Inventory number:
- InventoryMultipleMappingImpl [inventoryEntryValue=EC 231-722-6]
- CAS number:
- 7704-34-9
- Molecular formula:
- S
- Molecular weight:
- ca. 32.06
- SMILES notation:
- S
- InChl:
- InChI=1/H2S/h1H2
Dissipation DT50 of parent compound
- Temp.:
- 37 °C
- Remarks on result:
- other: the substance is slowly decomposed and its residual amounts were reached to about 25% of the initial state within 10 days.
Applicant's summary and conclusion
- Conclusions:
- Allyl isothiocyanate is gradually decomposed in aqueous solution to produce a garlic like odor. The decomposition of this isothiocyanate is not based on hydrolysis of R-NCS as in the case of p-hydroxybenzyl isothiocyanate, but the addition reaction on -N=C=S.
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