Structure

Gamma-octanoic lactone

CAS
104-50-7
Catalog Number
ACM104507
Category
Other Products
Molecular Weight
142.2
Molecular Formula
C8H14O2

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Specification

Synonyms
2(3H)-Furanone, 5-butyldihydro-;Octano-1,4-lactone;γ-Octalactone;γ-Octanolactone;5-Butyldihydrofuran-2(3H)-one
IUPAC Name
5-butyloxolan-2-one
SMILES
CCCCC1CCC(=O)O1
InChI Key
IPBFYZQJXZJBFQ-UHFFFAOYSA-N
Boiling Point
234ºC
Flash Point
>110ºC
Density
0.981
Appearance
Clear, colorless liquid
Application
Gamma-octanoic lactone, a key synthetic flavoring agent, serves multiple purposes in various industries due to its distinctive peach-like aroma and flavor profile. This stable and slightly yellow liquid is renowned for its fruity, coconut-like scent, making it an essential component in both aroma compositions and heavy blossom perfumes. Naturally occurring in peaches, mangoes, beef, and ham, it also plays a significant role as a fungal and mammalian metabolite. Besides its natural presence, it is prized in food applications, particularly in enhancing the taste of baked goods, candy, and ice cream, with recommended concentrations between 5 to 17 ppm. Its multifunctionality is further underlined by its use as an insect attractant and plant metabolite, highlighting its versatility and importance across various applications.
EC Number
203-208-1
Exact Mass
142.09900
Hazard Codes
Xi
Hazard Statements
Xi:Irritant
H-Bond Acceptor
2
H-Bond Donor
0
LogP
1.88220
MDL Number
MFCD00005402
PSA
26.3
Refractive Index
1.443-1.445
Safety Description
S26-S37/39
Stability
Stable under normal temperatures and pressures.
Storage Conditions
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Vapor Pressure
0.0408mmHg at 25°C
WGK Germany
1

Upstream Synthesis Route 1

  • 4653-08-1
  • 104-50-7

Reference: [1]Journal of the Chemical Society,1959,p. 440,442

Upstream Synthesis Route 2

  • 16424-53-6
  • 104-50-7

Reference: [1]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1958,vol. 247,p. 1016

Downstream Synthesis Route 1

  • 104-50-7
  • 24535-12-4

Reference: [1]Bulletin of the Chemical Society of Japan,1956,vol. 29,p. 822

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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