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ChemicalBook--->CAS DataBase List--->138-23-8

138-23-8

138-23-8 Structure

138-23-8 Structure
IdentificationBack Directory
[Name]

CITRONELLYL ISOBUTYRATE
[CAS]

138-23-8
[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
2-Methylpropanoic acid 3,7-dimethyl-7-octenyl ester
Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester
Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octen-1-yl ester
[EINECS(EC#)]

205-318-5
[Molecular Formula]

C14H26O2
[MDL Number]

MFCD00026443
[MOL File]

138-23-8.mol
[Molecular Weight]

226.36
Chemical PropertiesBack Directory
[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.)
[Fp ]

>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
[EPA Substance Registry System]

Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester (138-23-8)
Safety DataBack Directory
[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).
Hazard InformationBack Directory
[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.
[Definition]

ChEBI: Rhodinyl isobutyrate is a carboxylic ester.
[Preparation]

From rhodinol and isobutyric anhydride.
[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).
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