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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

Chengtian Fine Chemical Co., Ltd
Tel
18164098996
Fax
027-87680390
Email
3554657675@qq.com
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China
ProdList
6672
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58
Wuhan EnTai Technology Development Co,.Ltd
Tel
86-27-82330560
Fax
86-27-82330547
Email
2536851935@qq.com
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China
ProdList
347
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69
J & K SCIENTIFIC LTD.
Tel
010-82848833 400-666-7788
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
94657
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76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
021-61259108 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
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62
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
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84
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24529
Advantage
81
Ark Pharm, Inc.
Tel
847-367-3680
Fax
847-367-3681
Email
sales@arkpharminc.com
Country
United States
ProdList
1670
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Beijing HwrkChemical Technology Co., Ltd
Tel
010-89508211 18501085097
Fax
010-89508210
Email
sales.bj@hwrkchemical.com
Country
China
ProdList
8418
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Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44688
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Beijing Ouhe Technology Co., Ltd
Tel
010-82967028 13552068683
Fax
+86-10-82967029
Email
2355560935@qq.com
Country
China
ProdList
12390
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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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