Isopropenyl acetate Structure

Isopropenyl acetate

Chemical Properties

Melting point -93 °C
Boiling point 94 °C (lit.)
Density  0.922 g/mL at 20 °C 0.909 g/mL at 25 °C (lit.)
vapor pressure  23 hPa (20 °C)
FEMA  4152 | ISOPROPENYL ACETATE
FLAVIS Number 09.822 | iso-Propenyl acetate
refractive index  n20/D 1.401(lit.)
Flash point 66 °F
storage temp.  Store below +30°C.
solubility  34g/l
form  Liquid
color  Clear colorless to very slightly yellow
PH 3 (34g/l, H2O, 20℃)
Odor at 100.00 %. ethereal acetic fruity sweet berry grape skin
Odor Type fruity
explosive limit 1.8%(V)
Water Solubility  34 g/L (20 ºC)
Merck  14,5203
JECFA Number 1835
BRN  1280347
Henry's Law Constant 5.5×10-3 mol/(m3Pa) at 25℃, HSDB (2015)
InChI 1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
InChIKey HETCEOQFVDFGSY-UHFFFAOYSA-N
SMILES CC(=C)OC(C)=O
LogP 1.28
CAS DataBase Reference 108-22-5(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) ISOPROPENYL ACETATE
FDA UNII 4AR9LAS337
NIST Chemistry Reference 1-Propen-2-ol, acetate(108-22-5)
EPA Substance Registry System Isopropenyl acetate (108-22-5)
UNSPSC Code 12352108
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H303-H316-H319-H336-H225
Precautionary statements P501-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P312-P337+P313-P305+P351+P338-P303+P361+P353-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  F
Risk Statements  11
Safety Statements  9-16-29-33
RIDADR  UN 2403
WGK Germany  1
RTECS  UD4200000
10-21
Autoignition Temperature 439 °C DIN 51794
TSCA  TSCA listed
HS Code  2915 39 00
HazardClass  3
PackingGroup  II
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2
STOT SE 3
Hazardous Substances Data 108-22-5(Hazardous Substances Data)
Toxicity LD50 orally in rats: 3.0 g/kg (Smyth)
NFPA 704:
3
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