3,7-Dimethyl-6-octanolide
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3,7-Dimethyl-6-octanolide
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CAS No:
499-54-7
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Formula:
C10H18O2
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Chemical Name:
3,7-Dimethyl-6-octanolide
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Synonyms:
2-Oxepanone,4-methyl-7-(1-methylethyl)-;4-Methyl-7-(1-methylethyl)-2-oxepanone;3,7-Dimethyl-6-octanolide;7-(1-Methylethyl)-4-methyl-2-oxepanone;4-Methyl-7-isopropyl-ε-caprolactone;4-Methyl-7-isopropyloxepan-2-one;7-Isopropyl-4-methyloxepan-2-one
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CAS No:
Description
6-Hydroxy-3,7-dimethyl octanoic acid, lactone has a maple syrup or brown-sugar odor
colourless, low-melting solid with a maple syrup or brown sugar odour
7-isopropyl-4-methyloxepan-2-one is an epsilon-lactone that is oxepan-2-one which is substituted at positions 4 and 7 by methyl and isopropyl groups, respectively.
Characteristics
26.3
2.37420
colourless, low-melting solid with a maple syrup or brown sugar odour
0.926g/cm3
248.3ºC at 760mmHg
96.6ºC
1.435
very soluble in water and soluble in alcohol
0.0244mmHg at 25°C
3,7-Dimethyl-6-octanolide Use and Manufacturing
Catalyzed cyclization with 6-hydroxycitronellic acid in the presence of sodium acetate and acetic anhydride, then hydrogenated with calcium carbonate and Pd/H2 to obtain two isomers, which were then obtained by fractional distillation.
spices. Mainly used in baked goods and confectionery products.
2-Oxepanone, 4-methyl-7-(1-methylethyl)-: INACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:170.25
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.130679813
Monoisotopic Mass:170.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:163
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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