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Allylacetic acid  Structure

Allylacetic acid

Chemical 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
biological source synthetic
explosive limit 1.58%(V)
Water Solubility  Soluble in alcohol, Slightly soluble in water
JECFA Number 314
BRN  1633696
InChI 1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
InChIKey HVAMZGADVCBITI-UHFFFAOYSA-N
SMILES OC(=O)CCC=C
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)

Safety Information

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  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  29161980
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
Skin Corr. 1B
Toxicity LD50 oral in rat: 470mg/kg

MSDS

Usage And Synthesis

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