Description References
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Allylacetic acid

Description References
Product Name
Allylacetic acid
CAS No.
591-80-0
Chemical Name
Allylacetic acid
Synonyms
PENT-4-ENOIC ACID;4-PENTYNOIC ACID;4-PENTENOIC ACID;PROPARGYLACETIC ACID;4 PA;FEMA 2843;4-Pentensαure;PENT-4-ENOATE;AUYLACETICACID;Anulacetic acid
CBNumber
CB6264516
Molecular Formula
C5H8O2
Formula Weight
100.12
MOL File
591-80-0.mol
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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
pka
pK1:4.677 (25°C)
form 
Liquid
Specific Gravity
0.981
color 
Clear colorless to light yellow
Odor
at 0.10 % in propylene glycol. cheese parmesan romano ricotta
Odor Type
cheesy
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)
NIST Chemistry Reference
4-Pentenoic acid(591-80-0)
EPA Substance Registry System
4-Pentenoic acid (591-80-0)
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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
8-10-23
TSCA 
T
HazardClass 
8
PackingGroup 
III
HS Code 
29161980
Toxicity
LD50 oral in rat: 470mg/kg
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H302Harmful if swallowed

H314Causes severe skin burns and eye damage

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W284300
Product name
4-Pentenoic acid
Purity
≥98%, stabilized, FG
Packaging
25g
Price
$90.5
Updated
2024/03/01
Sigma-Aldrich
Product number
W284300
Product name
4-Pentenoic acid
Purity
≥98%, stabilized, FG
Packaging
100g
Price
$98.8
Updated
2024/03/01
Sigma-Aldrich
Product number
W284300
Product name
4-Pentenoic acid
Purity
≥98%, stabilized, FG
Packaging
1kg
Price
$959
Updated
2024/03/01
Sigma-Aldrich
Product number
245925
Product name
4-Pentenoic acid
Purity
97%
Packaging
5g
Price
$40.6
Updated
2024/03/01
Sigma-Aldrich
Product number
245925
Product name
4-Pentenoic acid
Purity
97%
Packaging
25g
Price
$173
Updated
2024/03/01
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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

clear colorless to light yellow liquid

Chemical Properties

4-Pentenoic acid has a sour, caramellic flavor with sweet aftertaste. It has an acrid flavor and odor at high levels.

Uses

Sulfonation yields the corresponding γ-lactone.1

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

4-Pentenoic acid (Allylacetic acid) was used to inhibit fatty acid oxidation in rat heart mitochondria.

Definition

ChEBI: A pentenoic acid having the double bond at position 4.

Preparation

By 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

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.

Allylacetic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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Allylacetic acid Suppliers

Alkemi BVBA
Tel
--
Fax
--
Email
nfo@alkemi.be
Country
Belgium
ProdList
2201
Advantage
58
Acros Organics (Part of Thermo Fisher Scientific )
Tel
--
Fax
--
Email
fo@acros.com
Country
Belgium
ProdList
3824
Advantage
58
Acros Organics
Tel
--
Fax
--
Email
info@acros.com
Country
Belgium
ProdList
6772
Advantage
81
Agfa Geveart BV
Tel
--
Fax
--
Email
jeff.lewis@agfa.com
Country
Belgium
ProdList
107
Advantage
86
Eburon Organics N.V.
Tel
--
Fax
--
Email
eburon@innet.be
Country
Belgium
ProdList
490
Advantage
66
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View Lastest Price from Allylacetic acid manufacturers

Hebei Weibang Biotechnology Co., Ltd
Product
Allylacetic acid 591-80-0
Price
US $1.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
10 mt
Release date
2024-11-15
Hebei Chuanghai Biotechnology Co,.LTD
Product
Allylacetic Acid 591-80-0
Price
US $5.00-2.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000kg
Release date
2024-08-23
R&D Scientific Inc.
Product
4-Pentenoic Acid 591-80-0
Price
US $786.00/Kg
Min. Order
1Kg
Purity
98
Supply Ability
500 Kg
Release date
2024-09-20

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