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Allylacetic acid

Description References

Allylacetic acid

CAS No.591-80-0
Chemical Name:Allylacetic acid
CBNumber:CB6264516
Molecular Formula:C5H8O2
Formula Weight:100.12
MOL File:591-80-0.mol

Allylacetic acid Property

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
solubility soluble in Chloroform, Methanol
form Liquid
pka pK1:4.677 (25°C)
Specific Gravity 0.981
color Clear colorless to light yellow
Odor at 0.10 % in propylene glycol. cheese parmesan romano ricotta
Odor Type cheesy
biological source synthetic
explosive limit 1.58%(V)
Water Solubility Soluble in alcohol, Slightly soluble in water
JECFA Number 314
BRN 1633696
InChIKey HVAMZGADVCBITI-UHFFFAOYSA-N
LogP 0.99
CAS DataBase Reference 591-80-0(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 4-PENTENOIC ACID
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII D4S77Y29FB
NIST Chemistry Reference 4-Pentenoic acid(591-80-0)
EPA Substance Registry System 4-Pentenoic acid (591-80-0)
UNSPSC Code 12352100
NACRES NA.22

Safety

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
F :8-10-23
TSCA :T
HazardClass :8
PackingGroup :III
HS Code :29161980
Toxicity :LD50 oral in rat: 470mg/kg

NFPA 704:

	2
3		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H302-H314
Precautionary statements P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310

Allylacetic acid Price More Price(8)

Brand: Sigma-Aldrich(India)
Product number: W284300
Product name : 4-Pentenoic acid
Purity: ≥98%, stabilized, FG
Packaging: 1SAMPLE-K
Price: ₹5141.88
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W284300
Product name : 4-Pentenoic acid
Purity: ≥98%, stabilized, FG
Packaging: 25G
Price: ₹9699.2
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W284300
Product name : 4-Pentenoic acid
Purity: ≥98%, stabilized, FG
Packaging: 100G
Price: ₹15652.95
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W284300
Product name : 4-Pentenoic acid
Purity: ≥98%, stabilized, FG
Packaging: 1KG
Price: ₹101722.53
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: 245925
Product name : 4-Pentenoic acid
Purity: 97%
Packaging: 5G
Price: ₹1894.38
Updated: 2022/06/14
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Allylacetic acid Chemical Properties,Usage,Production

Description Allylacetic 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
References Denmark, 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 Properties 4-Pentenoic acid has a sour, caramellic flavor with sweet aftertaste. It has an acrid flavor and odor at high levels.
Chemical Properties clear colorless to light yellow liquid
Uses 4-Pentenoic acid (Allylacetic acid) was used to inhibit fatty acid oxidation in rat heart mitochondria.
Uses The sulfonation of 4-pentenoic acid (Allylacetic acid) yields the corresponding γ-lactone. It was used to inhibit fatty acid oxidation in rat heart mitochondria.
Uses Sulfonation yields the corresponding γ-lactone.1
Preparation By decarboxylation via heating allylmalonic acid; from the corresponding ethyl ester prepared by boiling ethyl 4-chloron- valerate in quinoline.
Definition ChEBI: A pentenoic acid having the double bond at position 4.
Synthesis Reference(s) Synthetic Communications, 13, p. 889, 1983 DOI: 10.1080/00397918308059542
General Description 4-Pentenoic acid is a volatile acid reported to be found in tobacco.
Safety Profile Poison by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.