3681-82-1

Name TRANS-3-HEXENYL ACETATE
CAS 3681-82-1
EINECS(EC#) 222-962-2
Molecular Formula C8H14O2
MDL Number MFCD00674114
Molecular Weight 142.2
MOL File 3681-82-1.mol
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Chemical Properties

Boiling point  78-79℃ (30 Torr)
density  0.901±0.06 g/cm3(Predicted)
FEMA  4413 | TRANS-3-HEXENYL ACETATE
solubility  Chloroform (Soluble), Methanol (Sparingly)
form  Oil
color  Colourless to Light Yellow
Odor at 10.00 % in dipropylene glycol. sharp fruity green cortex hyacinth narcissus rummy unripe banana pear
Odor Type fruity
JECFA Number 2180
Henry's Law Constant 3.3×10-2 mol/(m3Pa) at 25℃, Karl et al. (2003)
Stability: Light Sensitive
InChI 1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+
InChIKey NPFVOOAXDOBMCE-SNAWJCMRSA-N
SMILES O(CC\C=C\CC)C(=O)C
LogP 2.42
EPA Substance Registry System 3-Hexen-1-ol, acetate, (3E)- (3681-82-1)

Safety Data

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Warning
Hazard statements  H226
Precautionary statements  P210
WGK Germany  WGK 3
TSCA  TSCA listed
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3

Hazard Information

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