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Home > Encyclopedia > 3,7-Dimethyl-6-octanolide

3,7-Dimethyl-6-octanolide

3,7-Dimethyl-6-octanolide structure

3,7-Dimethyl-6-octanolide 

structure
  • CAS No:

    499-54-7

  • Formula:

    C10H18O2

  • Chemical Name:

    3,7-Dimethyl-6-octanolide

  • 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

  • Categories:

    Cosmetic Ingredient  >  Perfuming

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.

3,7-Dimethyl-6-octanolide Basic Attributes

170.24872

170.25

207-882-8

30YQY8O31P

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

Methods of 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.

Uses

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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