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HomeProduct name listAllylacetic acid

Allylacetic acid

Synonym(s):3-Vinylpropionic acid;Allylacetic acid;Propargylacetic acid

  • CAS NO.:591-80-0
  • Empirical Formula: C5H8O2
  • Molecular Weight: 100.12
  • MDL number: MFCD00004408
  • EINECS: 209-732-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-28 16:48:35
Allylacetic acid  Structural

What is Allylacetic acid ?

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.

The Uses of Allylacetic acid

Sulfonation yields the corresponding γ-lactone.1

The Uses of Allylacetic acid

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.

The Uses of Allylacetic acid

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

What are the applications of Application

4-Pentenoic acid is able 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.

Properties of Allylacetic acid

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
explosive limit 1.58%(V)
Water Solubility  Soluble in alcohol, Slightly soluble in water
JECFA Number 314
BRN  1633696
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)

Safety information for Allylacetic acid

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H314:Skin corrosion/irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

Computed Descriptors for Allylacetic acid

InChIKey HVAMZGADVCBITI-UHFFFAOYSA-N

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