δ-Octalactone
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δ-Octalactone
structure -
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CAS No:
698-76-0
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Formula:
C8H14O2
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Chemical Name:
δ-Octalactone
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Synonyms:
2H-Pyran-2-one,tetrahydro-6-propyl-;Octanoic acid,5-hydroxy-,δ-lactone;Octanoic acid,5-hydroxy-,lactone;Tetrahydro-6-propyl-2H-pyran-2-one;5-Hydroxyoctanoic acid lactone;5-Hydroxyoctanoic acid δ-lactone;δ-Octalactone;δ-Propyl-δ-valerolactone;5-Octanolide;(±)-δ-Octalactone;(RS)-δ-Octalactone;δ-Octanolactone;104426-32-6
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CAS No:
Description
Δ-Octalactone has a sweet, fatty, coconut, tropical, dairy odor.
colourless to pale yellow liquid with a coconut-like odour
Delta-octanolide is a delta-lactone.
Characteristics
26.3
1.9
colourless to pale yellow liquid with a coconut-like odour
1.0±0.1 g/cm3
-14°C
115-117 °C @ Press: 12 Torr
125°C
1.436
Not miscible or difficult to mix in water.
LD50 orl-rat: >5 g/kg FCTOD7 20,783,80
Safety Information
NONH for all modes of transport
2
36/37/38-36/38
26-36-37
UQ1355500
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
Not Classified
δ-Octalactone Use and Manufacturing
It is made from 5-hydroxyoctanoic acid with NaBH4 reduction lactonization.
GB 2760-1996 stipulates the allowable food flavors.
2H-Pyran-2-one, tetrahydro-6-propyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
Flavoring Agents
Computed Properties
Molecular Weight:142.20
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:120
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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