3-(Hydroxymethyl)-2-heptanone
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3-(Hydroxymethyl)-2-heptanone
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CAS No:
65405-68-7
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Formula:
C8H16O2
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Chemical Name:
3-(Hydroxymethyl)-2-heptanone
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Synonyms:
2-Heptanone,3-(hydroxymethyl)-;3-(Hydroxymethyl)-2-heptanone;3-Hydroxymethyl-2-heptanone;3-Butyl-4-hydroxy-2-butanone
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CAS No:
Description
3-Octanon-1-ol has a powerful, fruity, herbaceous, spicy odor. The odor is slightly bitter above 20 ppm; otherwise, warm and fruity.
colourless liquid with powerful, herbaceous, fruity, mildly spicy odour
3-(Hydroxymethyl)-2-heptanone is an aliphatic alcohol.
Characteristics
37.3
1.37410
colorless clear liquid
0.9374 g/cm3 @ Temp: 20 °C
10.61ºC
112-113 °C @ Press: 11 Torr
91.4ºC
1.435
very slightly|slightly soluble in water; soluble in alcohol
3-(Hydroxymethyl)-2-heptanone Use and Manufacturing
Spices for food.
2-Heptanone, 3-(hydroxymethyl)-: ACTIVE
Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty alcohols [FA05]
Flavoring Agents
Computed Properties
Molecular Weight:144.21
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:99.4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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