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Allylacetic acid

Basic information Description References Safety Related Supplier
Allylacetic acid Basic information
Allylacetic acid Chemical Properties
  • Melting point:-22.5 °C (lit.)
  • Boiling point:83-84 °C/12 mmHg (lit.)
  • Density 0.981 g/mL at 25 °C (lit.)
  • vapor density >1 (vs air)
  • refractive index n20/D 1.428(lit.)
  • FEMA 2843 | 4-PENTENOIC ACID
  • Flash point:193 °F
  • storage temp. 2-8°C
  • form Liquid
  • pkapK1:4.677 (25°C)
  • Specific Gravity0.981
  • color Clear colorless to light yellow
  • explosive limit1.58%(V)
  • Water Solubility Soluble in alcohol, Slightly soluble in water
  • JECFA Number314
  • BRN 1633696
  • InChIKeyHVAMZGADVCBITI-UHFFFAOYSA-N
  • CAS DataBase Reference591-80-0(CAS DataBase Reference)
  • NIST Chemistry Reference4-Pentenoic acid(591-80-0)
  • EPA Substance Registry System4-Pentenoic acid (591-80-0)
Safety Information
  • Hazard Codes C,T
  • Risk Statements 34-22
  • Safety Statements 26-36/37/39-45
  • RIDADR UN 3261 8/PG 2
  • WGK Germany 3
  • RTECS SC4751000
  • 8-10-23
  • TSCA T
  • HazardClass 8
  • PackingGroup III
  • HS Code 29161980
  • ToxicityLD50 oral in rat: 470mg/kg
MSDS
Allylacetic acid Usage And Synthesis
  • DescriptionAllylacetic acid (allyl acetate) is a derivative of acetate. It is the acetate ester of allyl alcohol. It is useful industrial intermediate. It is the precursor of some special polymer such as drying oils. It can also be used as a useful allylating reagent for catalyzing the allylation of aldehydes, and also allylation of aryl bromides in the palladium-catalyzed cross-coupling reaction. It has also demonstrated that it is a potential fumigant against grain beetle pests; study has shown that doses of 50–150 mg litre?1 with 24–120-h exposures are necessary to achieve 100% mortality of all life stages against grain beetle pests. Study has also shown that ally acetate is an effective oxidants during the Palladium— Iminophosphine-Catalyzed Homocoupling of Alkynylstannanes and Other Organostannanes
  • ReferencesDenmark, S. E., and S. T. Nguyen. "Catalytic, nucleophilic allylation of aldehydes with allyl acetate. " Organic Letters 11.3 (2009):781-4.
    Yokoyama, Y., et al. "ChemInform Abstract: Palladium- Catalyzed Cross-Coupling Reaction: Direct Allylation of Aryl Bromides with Allyl Acetate."Chemischer Informationsdienst 26.52 (1986):6457-6460.
    Rajendran, Dr Somiahnadar, and N. Muralidharan. "Effectiveness of allyl acetate as a fumigant against five stored grain beetle pests." Pest Management Science 61.1(2005):97-101.
    Shirakawa, Eiji, et al. "Palladium—Iminophosphine-Catalyzed Homocoupling of Alkynylstannanes and Other Organostannanes Using Allyl Acetate or Air as an Oxidant." Journal of Organometallic Chemistry670.1(2003):132-136.
  • Chemical Propertiesclear colorless to light yellow liquid
  • Chemical Properties4-Pentenoic acid has a sour, caramellic flavor with sweet aftertaste. It has an acrid flavor and odor at high levels.
  • UsesSulfonation yields the corresponding γ-lactone.1
  • DefinitionChEBI: A pentenoic acid having the double bond at position 4.
  • PreparationBy decarboxylation via heating allylmalonic acid; from the corresponding ethyl ester prepared by boiling ethyl 4-chloron- valerate in quinoline.
  • Synthesis Reference(s)Synthetic Communications, 13, p. 889, 1983 DOI: 10.1080/00397918308059542
  • Safety ProfilePoison by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
Allylacetic acid Preparation Products And Raw materials
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