gamma-Octanoic lactone CAS 104-50-7

Introduction:Basic information about gamma-Octanoic lactone CAS 104-50-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

gamma-Octanoic lactone Basic information

Product Name:gamma-Octanoic lactone
Synonyms:octan-4-;Octan-4-olide;Octanoic acid, 4-hydroxy-, gamma-lactone;Octanoic acid, gamma lactone;a-Octanoic lactone;GAMMA-OCTALACTONE 97+% FCC;GAMMA-OCTALACTONE 97+% NATURAL;γ-octalactone,γ-octalactone,4-octanolide,4,5-dihydro-5-butyl-2(3H)-furanone
CAS:104-50-7
MF:C8H14O2
MW:142.2
EINECS:203-208-1
Product Categories:Food Additive;Cosmetics;lactone flavors
Mol File:104-50-7.mol

gamma-Octanoic lactone Chemical Properties

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℃
refractive index n20/D 1.444(lit.)
FEMA 2796 | GAMMA-OCTALACTONE
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
form Liquid
color Clear colorless
Odorcoconut odor
Odor Typecoconut
biological sourcesynthetic
Water Solubility 5.6-8.096g/L at 20℃
JECFA Number226
Major Applicationflavors and fragrances
Cosmetics Ingredients FunctionsPERFUMING
InChI1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
InChIKeyIPBFYZQJXZJBFQ-UHFFFAOYSA-N
SMILESCCCCC1CCC(=O)O1
LogP1.5-1.89 at 20-25℃
CAS DataBase Reference104-50-7(CAS DataBase Reference)
NIST Chemistry Reference2(3H)-furanone, 5-butyldihydro-(104-50-7)
EPA Substance Registry System2(3H)-Furanone, 5-butyldihydro- (104-50-7)

Safety Information

Hazard Codes Xi
Risk Statements 38
Safety Statements 26-37/39-36/37/39
WGK Germany 1
RTECS LU3562000
TSCA TSCA listed
HS Code 29322090
Storage Class10 - Combustible liquids
ToxicityLD50 orl-rat: 4400 mg/kg FCTXAV 14,821,76

gamma-Octanoic lactone Usage And Synthesis

Descriptiony-Octalactone has a strong, fruity odor reminiscent of coconut witha very sweet taste. This substance may be prepared syntheticallyfrom epoxy-1,2-hexane and sodio-malonic ester; after saponificationthe oxyacid is extracted with ether and is lactonized.
Chemical Propertiesγ-Octalactone has a fruity odor reminiscent of coconut and a very sweet taste.
Chemical PropertiesCLEAR COLOURLESS LIQUID
Chemical Propertiesgamma-Octanoic lactone occurs as anaroma constituent in many processed and unprocessed foods. It is a pale yellowliquid with a fruity/coconut-like odor and is used both in aroma compositions andin heavy blossom perfumes.
OccurrenceReported found in apricot, peach, blue cheese, butter, cooked chicken and cooked pork, licorice, milk, raspberry,roasted barley, and roasted filbert.
Uses4-Octanolide is one of the fine organic aerosol emitted from meat cooking operations that was examined by high-resolution gas chromatography.
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.
DefinitionChEBI: Gamma-octalactone is a gamma-lactone that is oxolan-2-one substituted by a butyl group at position 5. It is a volatile compound found in peaches, mangoes, beef and ham. It has a role as a fungal metabolite, a mouse metabolite, a mammalian metabolite, an insect attractant, a plant metabolite and a flavouring agent. It is a gamma-lactone, a tetrahydrofuranone and a volatile organic compound.
Aroma threshold valuesDetection: 7 ppb; aroma characteristics at 1.0%: sweet, fatty, creamy, coconut, lactonic and coumarinic.
Taste threshold valuesTaste characteristics at 1 to 10 ppm: coconut, fatty, creamy, coumarinic, with a strong creamy and waxymouthfeel.
Synthesis Reference(s)Chemistry Letters, 23, p. 53, 1994
The Journal of Organic Chemistry, 52, p. 4319, 1987 DOI: 10.1021/jo00228a032
Tetrahedron Letters, 19, p. 419, 1978 DOI: 10.1016/S0040-4039(01)91443-1
General Descriptionγ--Octalactone is one of the flavor constituents of peaches, oranges and sweet fortified wines.
Flammability and ExplosibilityNot classified
Safety ProfileMildly toxic byingestion. A skin irritant. When heated todecomposition it emits acrid smoke andirritating fumes.
SynthesisPrepared synthetically from epoxy-1,2-hexane and sodio-malonic ester; after saponification, the oxyacid is extracted withether and is lactonized.

gamma-Octanoic lactone Preparation Products And Raw materials

Raw materials1,2-Epoxyhexane
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