Citronellyl acetate

Citronellyl acetate Basic information
Product Name:Citronellyl acetate
Synonyms:Acetic acid ester leMongrass;Acetic acid 3,7-dimethyl-6-octenyl ester;Acetic acid 3,7-dimetyl-6-octen-1-yl;Citronellyl acetate,97%;FEMA 2311;DL-CITRONELLYL ACETATE;CITRONELLYL ACETATE;CITRONELLYL ACETATE, DL-
CAS:150-84-5
MF:C12H22O2
MW:198.3
EINECS:205-775-0
Product Categories:Alphabetical Listings;C-D;Acyclic Monoterpenes;Biochemistry;Terpenes;Flavors and Fragrances
Mol File:150-84-5.mol
Citronellyl acetate Structure
Citronellyl acetate Chemical Properties
Melting point 17.88°C (estimate)
Boiling point 240 °C(lit.)
density 0.891 g/mL at 25 °C(lit.)
vapor pressure 1.97Pa at 20℃
FEMA 2311 | CITRONELLYL ACETATE
refractive index n20/D 1.445(lit.)
Fp 218 °F
storage temp. Sealed in dry,Room Temperature
solubility DMSO : 100 mg/mL (504.29 mM; Need ultrasonic)
form neat
color Colorless liquid
Odorfruity odor
Odor Typefloral
Water Solubility PRACTICALLY INSOLUBLE
JECFA Number57
LogP4.9 at 25℃
CAS DataBase Reference150-84-5(CAS DataBase Reference)
NIST Chemistry ReferenceCitronellyl acetate(150-84-5)
EPA Substance Registry SystemCitronellol acetate (150-84-5)
Safety Information
Risk Statements 36/37/38
Safety Statements 24/25-37-26
WGK Germany 2
RTECS RH3422500
TSCA Yes
HS Code 29153900
ToxicityLD50 orl-rat: 6800 mg/kg FCTXAV 11,1011,73
MSDS Information
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Citronellyl acetate English
ACROS English
SigmaAldrich English
ALFA English
Citronellyl acetate Usage And Synthesis
Chemical PropertiesCitronellyl Acetate occurs in many essential oils either as one of its optical isomers or as the racemate. The odor of racemic citronellyl acetate differs little from that of the optical isomers. Racemic citronellyl acetate is a liquid with a fresh, fruity rose odor. It is often used as a fragrance, for example, for rose, lavender, and geranium notes as well as for eau de cologne with citrus nuances. Since it is relatively stable to alkali, it can be used in soaps and detergents. Citrus flavors acquire specific character through the addition of citronellyl acetate; it is also used to round off other fruit flavors.
Chemical PropertiesCitronellyl acetate has a fresh, fruity odor reminiscent of rose and a pungent taste at the beginning, turning to sweet, apricot-like taste afterward.
Chemical Propertiesclear colourless liquid
OccurrenceReported in the oil of citronella, Chamaecyparis lawsoniana Parl, orange juice, lemon juice, lemon and grapefruit peel oil, swangi (Citrus hystrix D.C.), ginger, tarragon, myrtle leaf, nutmeg, Cympogon citralis oil and beer.
UsesCitronellyl acetate is used as a reactant, and oxidized by ruthenium tetroxide catalyst in presence of acetonitrile.
UsesPerfumery, flavoring.
PreparationBy esterification of citronellol with acetic acid or acetic anhydride.
DefinitionChEBI: A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix.
Aroma threshold valuesDetection: 1 ppm
Taste threshold valuesTaste characteristics at 30 ppm: floral, green, fruity, sweet, citrus and waxy character.
Flammability and ExplosibilityNonflammable
Safety ProfileMildly toxic by ingestion. A human skin irritant. See also ESTERS. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
SynthesisBy direct acetylation of citronellol (natural or synthetic); its physical–chemical characteristics vary, depending on the quality of the starting alcohol.
Citronellyl acetate Preparation Products And Raw materials
Raw materialsSodium acetate-->Citronellol-->Rose Oil-->Geranium oil-->Citronella oil
Ethyl acetate Allyl phenoxyacetate Tocopheryl acetate Dimethylbenzylcarbinyl acetate Citronellyl acetate N,N-Dimethylformamide POLY(VINYL ACETATE) 1,3-Bis(isocyanatomethyl)benzene cis-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate Glatiramer acetate Triacetin N,N-Dimethylallylamine Vinyl acetate Dimethyl sulfoxide Potassium Acetate Dimethyl carbonate Methyl acetate Dimethyl sulfate

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