104-50-7

Name gamma-Octanoic lactone
CAS 104-50-7
EINECS(EC#) 203-208-1
Molecular Formula C8H14O2
MDL Number MFCD00005402
Molecular Weight 142.2
MOL File 104-50-7.mol

Chemical Properties

Appearance CLEAR COLOURLESS LIQUID
Melting point  91 °C(Solv: ethanol (64-17-5))
Boiling point  234 °C(lit.)
density  0.981 g/mL at 25 °C(lit.)
vapor pressure  1hPa at 20℃
FEMA  2796
refractive index  n20/D 1.444(lit.)
Fp  >230 °F
storage temp.  Sealed in dry,Room Temperature
form  Liquid
color  Clear colorless
Odor coconut odor
biological source synthetic
Odor Type coconut
Water Solubility  5.6-8.096g/L at 20℃
JECFA Number 226
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
InChIKey IPBFYZQJXZJBFQ-UHFFFAOYSA-N
SMILES CCCCC1CCC(=O)O1
LogP 1.5-1.89 at 20-25℃
Uses
(Gamma)-Octalactone is a synthetic flavoring agent that is a stable, colorless to slightly yellow liquid of peach odor. It should be stored in glass or tin containers. It is used in flavors for peach with applications in baked goods, candy, and ice cream at 5–17 ppm.
CAS DataBase Reference 104-50-7(CAS DataBase Reference)
NIST Chemistry Reference 2(3H)-furanone, 5-butyldihydro-(104-50-7)
EPA Substance Registry System 104-50-7(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H303-H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi
Risk Statements 
R38:Irritating to the skin.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  1
RTECS  LU3562000
TSCA  Yes
REACH Registrations Active
HS Code  29322090
Storage Class 10 - Combustible liquids
Safety Profile
Mildly toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Toxicity
LD50 orl-rat: 4400 mg/kg FCTXAV 14,821,76

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

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