104-61-0

Name gamma-Nonanolactone
CAS 104-61-0
EINECS(EC#) 203-219-1
Molecular Formula C9H16O2
MDL Number MFCD00005403
Molecular Weight 156.22
MOL File 104-61-0.mol
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Chemical Properties

Boiling point  121-122 °C6 mm Hg(lit.)
density  0.976 g/mL at 25 °C(lit.)
vapor pressure  1.9Pa at 25℃
FEMA  2781
refractive index  n20/D 1.447(lit.)
Fp  >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Sparingly), Hexanes (Slightly)
form  neat
color  Colourless
Odor at 100.00 %. coconut creamy waxy sweet buttery oily
biological source synthetic
Odor Type coconut
Water Solubility  9.22g/L(25 ºC)
JECFA Number 229
Henry's Law Constant 1.8×10-1 mol/(m3Pa) at 25℃, Hertel and Sommer (2006)
Stability: Hygroscopic
Major Application flavors and fragrances
Cosmetics Ingredients Functions FRAGRANCE
PERFUMING
SKIN CONDITIONING
InChI 1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
InChIKey OALYTRUKMRCXNH-UHFFFAOYSA-N
SMILES CCCCCC1CCC(=O)O1
LogP 2.5 at 25℃
Uses
(Gamma)-Nonalactone is a synthetic flavoring agent that is a colorless to yellow liquid of strong, coconut-like odor. It is soluble in most fixed oils, mineral oil, and propylene glycol. It is stable in acids and unstable in alkali and should be stored in glass, tin, or aluminum containers. It is used in coconut flavors and has application in gelatins, puddings, baked goods, candy, and ice cream at 11–55 ppm. It is also termed aldehyde c-18.
CAS DataBase Reference 104-61-0(CAS DataBase Reference)
NIST Chemistry Reference 2(3H)-Furanone, dihydro-5-pentyl-(104-61-0)
EPA Substance Registry System 104-61-0(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319-H335
Precautionary statements  P264-P280-P305+P351+P338-P337+P313P
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
WGK Germany  1
RTECS  LU3675000
TSCA  TSCA listed
REACH Registrations Active
HS Code  29322090
Storage Class 10 - Combustible liquids
Safety Profile
Moderately toxic by ingestion. A skin irritant. Mutation data reported. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.
Hazardous Substances Data 104-61-0(Hazardous Substances Data)

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