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Basic information
- CAS
592-88-1- Standard SMILES
C=CCSCC=C- InChIKey
UBJVUCKUDDKUJF-UHFFFAOYSA-N- Molecular formula
- C6H10S
- Average molar mass
- 114.213 g/mol
- Monoisotopic mass
- 114.05032132
Names & identifiers
- Preferred name
- 3-(Prop-2-en-1-ylsulfanyl)prop-1-ene
- IUPAC
- 3-[(Prop-2-en-1-yl)sulfanyl]prop-1-ene
- English name
- Diallyl sulfide
- Molecular formula
- C6H10S
- Molecular weight
- 114.21
Names & synonyms
ALLYL SULFIDEOil garlicFEMA 2042DIALLYL SULPHIDEALLYL SULPHIDEAllyl monosulfidedi-2-propenyl sulfideDiallyl sulfide, 97% / Allyl sulfideNSC 20947oilgarlic
Database identifiers
- CAS
592-88-1- PubChem CID
- 11617
- DTXSID
DTXSID6060470- ChEMBL
CHEMBL170458- ChEBI
CHEBI:4489- UNII
- 60G7CF7CWZ
- EC Number
- 209-775-1
- Nikkaji
- J6.765B
Properties
Physicochemical properties
- Melting point
- -83 °C · -83 °C
- Boiling point
- 138 °C · 138 °C(lit.)
- Density
- 0.887 g/mL · 0.887 g/mL at 25 °C(lit.)
- vapor density
- 3.9 · 3.9 (vs air)
- vapor pressure
- 7 mm · 7 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.490(lit.)
- FEMA
- 2042 · 2042 | ALLYL SULFIDE
- FLAVIS Number
- 12.088 · 12.088 | Diallyl sulfide
- Flash point
- 115 °F · 115 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 3 mg/mL · 3mg/mL in ethanol;5mg/mL in DMSO;10mg/mL in dimethyl formamide
- form
- Liquid
- color
- Clear colorless
- Odor
- 0.1 % · at 0.10 % in propylene glycol. sulfurous onion garlic horseradish metallic
- Odor Type
- sulfurous
- biological source
- synthetic
- Odor Threshold
- 0.00022 ppm · 0.00022ppm
- explosive limit
- 1.1 % · 1.1%(V)
- Water Solubility
- Soluble in alcohol, chloroform, ether, and carbon tetrachloride. Insoluble in water.
- Merck
- 14 · 14,297
- JECFA Number
- 458 · 458
- BRN
- 1736016 · 1736016
- Henry's Law Constant
- 4.1 · 4.1×10-3 mol/(m3Pa) at 25℃, Lindinger et al. (1998)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- BC4900000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29309070
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39-23-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H303-H315-H319-H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P312-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
- Hazardous Substances Data
- 592-88-1(Hazardous Substances Data)
Chemistry & industry
Applications
General DescriptionDiallyl sulfide refers to the following 4 ingredients: diallyl monosulfide, diallyl disulfide, diallyl trisulfide and diallyl tetrasulfide, which exist in putrefaction decomposer of vegetables, green onion and the fruit of.cruciferous plants. As the main component of garlic extract, it is featured with strong anti-cancer, anti-virus, antibacterial activity, strong inhibition of platelet aggregation and immunity improvement. It has been widely used in the industries such as medical and health, fodder and the like.
UsesUsed as a reagent. Used in the industries such as medical and health, fodder and the like.
OccurrenceReported found in garlic (Allium sativum L.), onion (Allium cepa L.), nira (Allium tuberosum Rottl.), caucas (Allium victoralis L.), mustard (Brassica species) and cooked/boiled beef
UsesDiallyl sulfide is a modulator of drug metabolizing enzyme P450 system and inducer of the phase II detoxifying enzyme GST. Diallyl sulfide is also an inhibitor of CYP2E1 and believed to prevent chemically-induced carcinogenesis in many tissues. It is also used as a food additive. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
Usesantibacterial, antifungal, antineoplastic, antihypercholesterolaemic, hepatoprotectant
Usesmanufacture of flavors.
General DescriptionAllyl sulfide is a volatile flavor compound naturally found in Allium species such as garlic and onion. It is has a characteristic garlic odor and is used as a flavoring agent in meat and condiments.
Preparation methods
PreparationFrom allyl iodide plus potassium sulfide in alcoho
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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