ChemicalBook--->CAS DataBase List--->104-50-7

104-50-7

104-50-7 Structure

104-50-7 Structure
IdentificationMore
[Name]

gamma-Octanoic lactone
[CAS]

104-50-7
[Synonyms]

4-hydroxyoctanoic acid gamma-lactone
4-HYDROXYOCTANOIC ACID G-LACTONE
4-n-Butyl-4-hydroxybutyric acid lactone
FEMA 2796
GAMMA-OCTALACTONE
GAMMA-OCTANOIC LACTONE
GAMMA-OCTANOLACTONE
G-OCTALACTONE
G-OCTANOIC LACTONE
OCTALACTONE, GAMMA-
OCTANO-1,4-LACTONE
Octanolide-1,4
2(3H)-Furanone, 5-butyldihydro-
2(3H)-Furanone, dihydro-5-butyl-
4-Butyl-gamma-butyrolactone
4-hydroxyoctanoic
4-Hydroxyoctanoic acid lactone
4-hydroxyoctanoicacidlactone
4-hydroxy-octanoicacilactone
4-Octanolide
[EINECS(EC#)]

203-208-1
[Molecular Formula]

C8H14O2
[MDL Number]

MFCD00005402
[Molecular Weight]

142.2
[MOL File]

104-50-7.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[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 ProductsBack Directory
[Raw materials]

1,2-Epoxyhexane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-n-Butyl-4-hydroxybutyric acid lactone(104-50-7).msds
Hazard InformationBack Directory
[Description]

y-Octalactone has a strong, fruity odor reminiscent of coconut with a very sweet taste. This substance may be prepared synthetically from epoxy-1,2-hexane and sodio-malonic ester; after saponification the oxyacid is extracted with ether and is lactonized.
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Chemical Properties]

gamma-Octanoic lactone occurs as an aroma constituent in many processed and unprocessed foods. It is a pale yellow liquid with a fruity/coconut-like odor and is used both in aroma compositions and in heavy blossom perfumes.
[Chemical Properties]

γ-Octalactone has a fruity odor reminiscent of coconut and a very sweet taste.
[Occurrence]

Reported found in apricot, peach, blue cheese, butter, cooked chicken and cooked pork, licorice, milk, raspberry, roasted barley, and roasted filbert.
[Definition]

ChEBI: 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 values]

Detection: 7 ppb; aroma characteristics at 1.0%: sweet, fatty, creamy, coconut, lactonic and coumarinic.
[Taste threshold values]

Taste characteristics at 1 to 10 ppm: coconut, fatty, creamy, coumarinic, with a strong creamy and waxy mouthfeel.
[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 Description]

γ--Octalactone is one of the flavor constituents of peaches, oranges and sweet fortified wines.
[Flammability and Explosibility]

Notclassified
[Synthesis]

Prepared synthetically from epoxy-1,2-hexane and sodio-malonic ester; after saponification, the oxyacid is extracted with ether and is lactonized.
Spectrum DetailBack Directory
[Spectrum Detail]

gamma-Octanoic lactone(104-50-7)MS
gamma-Octanoic lactone(104-50-7)1HNMR
gamma-Octanoic lactone(104-50-7)13CNMR
gamma-Octanoic lactone(104-50-7)IR1
gamma-Octanoic lactone(104-50-7)IR2
gamma-Octanoic lactone(104-50-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

gamma-Octanoic lactone, 98%(104-50-7)
[Alfa Aesar]

γ-Octanolactone, 98%(104-50-7)
[Sigma Aldrich]

104-50-7(sigmaaldrich)
[TCI AMERICA]

gamma-Octanolactone,>96.0%(GC)(104-50-7)
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