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Citronellic acid

Citronellic acid structure

Citronellic acid 

structure
  • CAS No:

    502-47-6

  • Formula:

    C10H18O2

  • Chemical Name:

    Citronellic acid

  • Synonyms:

    6-Octenoic acid,3,7-dimethyl-;Citronellic acid;3,7-Dimethyl-6-octenoic acid;Rhodinic acid;57030-77-0

  • Categories:

    Cosmetic Ingredient  >  Anti-seborrheic

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.

Citronellic acid Basic Attributes

170.24900

170.25

207-939-7

DTXSID1047106

2916190090

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.

Safety Information

III

6.1

UN 2810 6.1/PG 3

3

R21

S36/37

RH3230000

Xn: Harmful;

P280-P312

H311-H315

Drug Information

3,7-dimethyl-6-octenoic acid

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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