16491-36-4

Name CIS-3-HEXENYL BUTYRATE
CAS 16491-36-4
EINECS(EC#) 240-553-7
Molecular Formula C10H18O2
MDL Number MFCD00036540
Molecular Weight 170.25
MOL File 16491-36-4.mol

Chemical Properties

Boiling point  96 °C20 mm Hg(lit.)
density  0.885 g/mL at 25 °C(lit.)
FEMA  3402
refractive index  n20/D 1.431(lit.)
Fp  174 °F
storage temp.  Inert atmosphere,Room Temperature
Specific Gravity 0.885
Appearance Colorless to light yellow Liquid
Odor at 100.00 %. fresh green apple fruity wine metallic buttery
biological source synthetic
Odor Type green
JECFA Number 157
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
InChIKey ZCHOPXVYTWUHDS-WAYWQWQTSA-N
SMILES [H]\C(CC)=C(/[H])CCOC(=O)CCC
LogP 3.48
CAS DataBase Reference 16491-36-4(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 3-hexenyl ester, (z)-(16491-36-4)
EPA Substance Registry System 16491-36-4(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  2
TSCA  TSCA listed
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

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