Citronellic acid
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Citronellic acid
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CAS No:
502-47-6
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Formula:
C10H18O2
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Chemical Name:
Citronellic acid
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Synonyms:
6-Octenoic acid,3,7-dimethyl-;Citronellic acid;3,7-Dimethyl-6-octenoic acid;Rhodinic acid;57030-77-0
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CAS No:
Description
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID Citronellic acid has a green-grassy odor.
Solid|Colourless liquid; smokey, whisky aroma
Citronellic acid is a monounsaturated fatty acid that is oct-6-enoic acid carrying methyl groups at positions 3 and 7. It has a role as a plant metabolite and a flavouring agent. It is a monoterpenoid, a medium-chain fatty acid and a monounsaturated fatty acid. It derives from a citronellal.
Characteristics
37.30000
2.84360
Solid
0.9325 g/cm3 @ Temp: 15 °C
257 °C
258 °C
>230 °F
n20/D 1.454(lit.)
Insoluble in water.
Citronellic acid Use and Manufacturing
6-Octenoic acid, 3,7-dimethyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Flavoring Agents
Computed Properties
Molecular Weight:170.25
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:170.130679813
Monoisotopic Mass:170.130679813
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:167
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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