39212-23-2

Name Whiskey lactone
CAS 39212-23-2
EINECS(EC#) 254-357-4
Molecular Formula C9H16O2
MDL Number MFCD00209540
Molecular Weight 156.22
MOL File 39212-23-2.mol
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Chemical Properties

Boiling point  93-94 °C5 mm Hg(lit.)
density  0.952 g/mL at 25 °C(lit.)
FEMA  3803
refractive index  n20/D 1.4454(lit.)
Fp  >230 °F
form  clear liquid
color  Colorless to Almost colorless
Odor at 10.00 % in dipropylene glycol. tonka coumarin coconut toasted nutty celery burnt
biological source synthetic
Odor Type tonka
JECFA Number 437
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3
InChIKey WNVCMFHPRIBNCW-UHFFFAOYSA-N
SMILES CCCCC1OC(=O)CC1C
LogP 1.81
CAS DataBase Reference 39212-23-2(CAS DataBase Reference)
NIST Chemistry Reference 2(3H)-furanone, 5-butyldihydro-4-methyl-(39212-23-2)
EPA Substance Registry System 39212-23-2(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-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 .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  2
TSCA  TSCA listed
HS Code  2932190090
Storage Class 10 - Combustible liquids

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