| Identification | More | [Name]
CITRONELLIC ACID | [CAS]
502-47-6 | [Synonyms]
3,7-DIMETHYL-6-OCTENOIC ACID
(+/-)-CITRONELLIC ACID
CITRONELLIC ACID
FEMA 3142
RHODINIC ACID
TIMTEC-BB SBB006596
(±)-3,7-dimethyl-oct-6-enoicacid
3,7-dimethyl-6-octenoicaci
3,7-dimethyl-oct-6-enoicacid
6-Octenoic acid, 3,7-dimethyl-
(+/-)-3 7-DIMETHYL-6-OCTENOIC ACID >=94
3,7-Dimethyl-6-octenoic acid, Citronellic acid | [EINECS(EC#)]
207-939-7 | [Molecular Formula]
C10H18O2 | [MDL Number]
MFCD00002728 | [Molecular Weight]
170.25 | [MOL File]
502-47-6.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID | [Boiling point ]
121-122 °C1 mm Hg(lit.) | [density ]
0.923 g/mL at 25 °C(lit.)
| [FEMA ]
3142 | [refractive index ]
n20/D 1.454(lit.)
| [Fp ]
>230 °F
| [solubility ]
Almost insoluble in water, soluble in tslcohol and oils. | [form ]
clear liquid | [pka]
4.78±0.10(Predicted) | [color ]
Colorless to Light yellow | [Odor]
at 10.00 % in dipropylene glycol. green grassy smoky fatty floral | [biological source]
synthetic | [Odor Type]
green | [Water Solubility ]
Insoluble in water. | [JECFA Number]
1221 | [LogP]
3.35 | [CAS DataBase Reference]
502-47-6(CAS DataBase Reference) | [EPA Substance Registry System]
6-Octenoic acid, 3,7-dimethyl- (502-47-6) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R21:Harmful in contact with skin.
R38:Irritating to the skin. | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
UN 2810 6.1/PG 3 | [WGK Germany ]
3 | [RTECS ]
RH3230000 | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29161995 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Methanol-->Diethyl ether-->N,N-Dimethylformamide-->Acetone-->Pyridine-->Chromium(VI) oxide-->Citronellol-->Propanedioic acid, 2-(1,5-dimethyl-4-hexen-1-yl)-, 1,3-diethyl ester-->2-Pentanone, 5,5-dimethoxy--->4-Methylpent-3-enylmagnesium bromide, 0.5M in THF-->(2Z)-3,7-Dimethyl-2,6-octadienoic acid-->BETA-RHODINOL-->(+)-CITRONELLAL-->(R)-(+)-BETA-CITRONELLOL-->GERANIC ACID | [Preparation Products]
7-isopropyl-4-methyloxepan-2-one |
| Hazard Information | Back Directory | [Chemical Properties]
Citronellic acid has a green-grassy odor. | [Chemical Properties]
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID | [Occurrence]
The d-form is reportedly a constituent of Java citronella, geranium, Borosma pulchellum, Xanthoxylum
piperitum, bitter-orange leaves, lemongrass, Calytrix virgata and Calytrix tetragona leaves; the l-form has been reportedly identified
in cypress oil (Callitirs glauca R. Br.), Callitirs intratropica, in the oil of Chamaecyparis obtusa and of Thujopsis dolabrata;
the d,l-form is isolated from camphor oil. Also reported found in mandarin peel oil, swangi (Citrus hystrix D.C.), peppermint oil
and black tea. | [Uses]
Citronellic acid was used in synthesis of stereoisomers of 3,11- dimethylnonacosan-2-one and 29-hydroxy-3,11-dimethylnonacosan-2-one. | [Definition]
ChEBI: 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 is functionally related to a citronellal. | [Preparation]
By oxidation of citronellal; also by the conversion of pulegone. | [Aroma threshold values]
Detection at 1%: fatty, waxy, heavy, floral with a slight citronella nuance. It also has vegetative and tobacco
nuances. | [Taste threshold values]
Taste characteristics at 5 to 30 ppm: mild, floral, rosy, fruity melon with slight hints of citronella and citrus. |
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