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CITRONELLYL ISOBUTYRATE

CAS No.
138-23-8
Chemical Name:
CITRONELLYL ISOBUTYRATE
Synonyms
FEMA 2313;RHODINYL ISOBUTYRATE;CITRONELLYL ISOBUTYRATE;CITRONELLYL 2-METHYLPROPIONATE;3,7-Dimethyloct-7-enylisobutyrat;3,7-dimethyloct-7-enyl isobutyrate;3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE;6-OCTEN-1-OL, 3,7-DIMETHYL:ISOBUTYRATE;3,7-dimethyloct-7-enyl 2-methylpropanoate;3,7-DIMETHYL-6-OCTEN-1-YL-2-METHYL PROPANOATE
CBNumber:
CB5345968
Molecular Formula:
C14H26O2
Molecular Weight:
226.35
MDL Number:
MFCD00026443
MOL File:
138-23-8.mol
Last updated:2023-05-25 18:01:12

CITRONELLYL ISOBUTYRATE Properties

Boiling point 253 °C(lit.)
Density 0.875 g/mL at 25 °C(lit.)
FEMA 2983 | RHODINYL ISOBUTYRATE
refractive index n20/D 1.442(lit.)
Flash point >230 °F
color A colourless oily liquid. Consists of a mixture of the isobutyrates of 1-citronellol and geraniol, principally 3,7-dimethyl-6-octen-l-yl isobutyrate.
Odor at 100.00 %. sweet natural red rose spicy fruity tropical geranium
Odor Type floral
JECFA Number 74
LogP 5.17
Substances Added to Food (formerly EAFUS) RHODINYL ISOBUTYRATE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII MPU705W90M
EPA Substance Registry System Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester (138-23-8)

SAFETY

Risk and Safety Statements

WGK Germany  2
Toxicity Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975).

CITRONELLYL ISOBUTYRATE Chemical Properties,Uses,Production

Chemical Properties

Rhodinyl isobutyrate has a fruity, sweet, floral odor with a fruity, floral, pineapple-like flavor, intensely sweet.

Occurrence

Has apparently not been reported to occur in nature.

Preparation

From rhodinol and isobutyric anhydride.

Definition

ChEBI: Rhodinyl isobutyrate is a carboxylic ester.

Metabolism

Open-chain olefinic terpene esters are presumably hydrolysed to the alcohol and the acid (Fassett, 1963). In the rabbit, the open-chain terpenes undergo ω-oxidation (Williams, 1959).

CITRONELLYL ISOBUTYRATE Preparation Products And Raw materials

Raw materials

Preparation Products

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CITRONELLYL ISOBUTYRATE CITRONELLYL 2-METHYLPROPIONATE FEMA 2313 3,7-DIMETHYL-6-OCTEN-1-YL-2-METHYL PROPANOATE 3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE 6-OCTEN-1-OL, 3,7-DIMETHYL:ISOBUTYRATE RHODINYL ISOBUTYRATE 3,7-dimethyloct-7-enyl isobutyrate Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester 3,7-Dimethyloct-7-enylisobutyrat 2-Methylpropanoic acid 3,7-dimethyl-7-octenyl ester 3,7-dimethyloct-7-enyl 2-methylpropanoate Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octen-1-yl ester 138-23-8