γ-Hexalactone
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γ-Hexalactone
structure -
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CAS No:
695-06-7
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Formula:
C6H10O2
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Chemical Name:
γ-Hexalactone
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Synonyms:
2(3H)-Furanone,5-ethyldihydro-;Hexanoic acid,4-hydroxy-,γ-lactone;Hexanoic acid,4-hydroxy-,lactone;Caproic acid,γ-hydroxy-,lactone;5-Ethyldihydro-2(3H)-furanone;γ-Caprolactone;γ-Hexalactone;γ-Ethyl-γ-butyrolactone;γ-Ethylbutyrolactone;4-Hydroxyhexanoic acid lactone;γ-Hexanolactone;6-Caprolactone;4-Ethyl-4-butanolide;4-Hexanolide;γ-Hexanolide;5-Ethyltetrahydro-2-furanone;(±)-γ-Ethyl-γ-butyrolactone;(±)-4-Ethylbutyrolactone;(RS)-γ-Hexalactone;(±)-γ-Hexalactone;NSC 134769;NSC 24255;57129-70-1
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CAS No:
Description
γ-Hexalactone is a gamma-lactone found in ripe fruits. γ-Hexalactone can induce DNA damage, acts a substrate of Paraoxonase 1 (PON1)[1][2][3].
Liquid|colourless to pale yellow liquid with a herbaceous, sweet odour
Gamma-caprolactone is a gamma-lactone that is oxolan-2-one substituted by an ethyl group at position 5. It has a role as a human blood serum metabolite.
Characteristics
26.3
0.7
Liquid
1.027 g/cm3 @ Temp: 20 °C
-18 °C
215.5 °C
209 °F
1.432
1 ml in 1 ml 95% alcohol (in ethanol)
Store below +30°C.
Safety Information
NONH for all modes of transport
2
36/37/38-36
26-36
LU4220000
Xi
Irritant
P305 + P351 + P338
H319
Not Classified
γ-Hexalactone Use and Manufacturing
By the reaction of ethylene oxide and sodium malonate.
γ-Caprolactone was used as curing agent for diglycidyl ether of bisphenol A with ytterbium triflate as an initiator.
< 25,000 lb
2(3H)-Furanone, 5-ethyldihydro-: ACTIVE
EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
Flavoring Agents
Computed Properties
Molecular Weight:114.14
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:98.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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