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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
Molecular Weight:
100.12
MDL Number:
MFCD00004408
MOL File:
591-80-0.mol
MSDS File:
SDS
Last updated:2024-12-18 14:15:30

Allylacetic acid 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
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
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)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS05,GHS07
Signal word  Danger
Hazard statements  H302-H314
Precautionary statements  P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310
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
NFPA 704
2
3 0

Allylacetic acid price More Price(33)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich W284300 4-Pentenoic acid ≥98%, stabilized, FG 591-80-0 25g $90.5 2024-03-01 Buy
Sigma-Aldrich W284300 4-Pentenoic acid ≥98%, stabilized, FG 591-80-0 100g $98.8 2024-03-01 Buy
Sigma-Aldrich W284300 4-Pentenoic acid ≥98%, stabilized, FG 591-80-0 1kg $959 2024-03-01 Buy
Sigma-Aldrich 245925 4-Pentenoic acid 97% 591-80-0 5g $40.6 2024-03-01 Buy
Sigma-Aldrich 245925 4-Pentenoic acid 97% 591-80-0 25g $173 2024-03-01 Buy
Product number Packaging Price Buy
W284300 25g $90.5 Buy
W284300 100g $98.8 Buy
W284300 1kg $959 Buy
245925 5g $40.6 Buy
245925 25g $173 Buy

Allylacetic acid Chemical Properties,Uses,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.

Global( 327)Suppliers
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Hebei Weibang Biotechnology Co., Ltd
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View Lastest Price from Allylacetic acid manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-Pentenoic acid pictures 2024-11-19 4-Pentenoic acid
591-80-0
US $29.00 / g 98% 10g TargetMol Chemicals Inc.
Allylacetic acid pictures 2024-11-15 Allylacetic acid
591-80-0
US $1.00 / kg 1kg 99% 10 mt Hebei Weibang Biotechnology Co., Ltd
Allylacetic Acid pictures 2024-10-11 Allylacetic Acid
591-80-0
US $5.00-2.00 / KG 1KG 99% 10000kg Hebei Chuanghai Biotechnology Co,.LTD
  • Allylacetic Acid pictures
  • Allylacetic Acid
    591-80-0
  • US $5.00-2.00 / KG
  • 99%
  • Hebei Chuanghai Biotechnology Co,.LTD
4 PA 4-Pentensαure AUYLACETICACID 3-Vinylpropionic acid, Allylacetic acid 4-Pentenoic acid,99% 4-Pentenoic acid, 99% 25GR 4-Pentenoic acid, 99% 5GR 4-Pentenoic acid 97% Allylacetic Acid 3-Vinylpropionic Acid Butencarbonsαure delta4-Pentenoic acid delta4-pentenoicacid ALLYLACETIC ACID 3-VINYLPROPIONIC ACID RARECHEM AL BO 0762 TIMTEC-BB SBB009121 FEMA NUMBER 2843 FEMA 2843 4-PENTENOIC ACID 98+% 4-Pentenoic Aicd PENT-4-ENOATE Anulacetic acid 4-Pentenoic Acid Allylacetic acid in stock Factory 4-Pentenoic acid, 98%, for synthesis 4-PentenoicAcid> 4-PENTYNOIC ACID 4-PENTENOIC ACID PENT-4-ENOIC ACID PROPARGYLACETIC ACID 591-80-0 H2CCHCH22CO2H CH2CHCH2CH2COOH CH2CHC2H4COOH CARBOXYLIC ACID 蠅-Unsaturated Carboxylic Acids 蠅-Functional Alkanols, Carboxylic Acids, Amines & Halides Organic Building Blocks C1 to C5 Carbonyl Compounds Carboxylic Acids Building Blocks Building Blocks C1 to C5 Carbonyl Compounds Carboxylic Acids Chemical Synthesis Organic Building Blocks omega-Functional Alkanols, Carboxylic Acids, Amines & Halides omega-Unsaturated Carboxylic Acids Pharmaceutical Intermediates