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ChemicalBook--->CAS DataBase List--->97-89-2

97-89-2

97-89-2 Structure

97-89-2 Structure
IdentificationBack Directory
[Name]

CITRONELLYL ISOBUTYRATE
[CAS]

97-89-2
[Synonyms]

FEMA 2313
RHODINYL ISOBUTYRATE
CITRONELLYLISOBUTYRAT
CITRONELLYL ISOBUTYRATE
CITRONELLYLISOBUTYRATEFCC
CITRONELLYL 2-METHYLPROPIONATE
3,7-Dimethyloct-6-enylisobutyrat
CITRONELLYL ISOBUTYRATE USP/EP/BP
3,7-dimethyloct-6-enyl isobutyrate
CITRONELLYL ISOBUTYRATE 92+% FCC
3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE
3,7-diMethyloct-6-en-1-yl isobutyrate
6-OCTEN-1-OL, 3,7-DIMETHYL:ISOBUTYRATE
3,7-Dimethyl-6-octenyl 2-methylpropanoate
3 7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE FCC
Isobutyric acid, 3,7-dimethyl-6-octenyl ester
3,7-DIMETHYL-6-OCTEN-1-YL-2-METHYL PROPANOATE
Propanoicacid,2-methyl-,3,7-dimethyl-6-octenylester
2-Methylpropanoic acid 3,7-dimethyl-6-octenyl ester
2-methylpropanoicacid3,7-dimethyl-oct-6-en-1-ylester
Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester
Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octen-1-yl ester
citronellylisobutyrate,3,7-dimethyl-6-octen-1-yl2-methylpropenoate
[EINECS(EC#)]

202-616-7
[Molecular Formula]

C14H26O2
[MDL Number]

MFCD00026443
[MOL File]

97-89-2.mol
[Molecular Weight]

226.36
Chemical PropertiesBack Directory
[Melting point ]

-22.4°C (estimate)
[Boiling point ]

253 °C(lit.)
[density ]

0.875 g/mL at 25 °C(lit.)
[vapor pressure ]

1.9Pa at 25℃
[FEMA ]

2313 | CITRONELLYL ISOBUTYRATE
[refractive index ]

n20/D 1.442(lit.)
[Fp ]

>230 °F
[Odor]

at 100.00 %. sweet fruity floral geranium tropical
[biological source]

synthetic
[Odor Type]

fruity
[JECFA Number]

71
[LogP]

5.415 at 25℃
[EPA Substance Registry System]

Citronellyl isobutyrate (97-89-2)
Safety DataBack Directory
[WGK Germany ]

2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isobutyric acid-->Citronellol-->Isobutyric anhydride
Hazard InformationBack Directory
[Chemical Properties]

Citronellyl isobutyrate has a sweet, fruity and rose-like odor with a slightly sweet, apricot-like taste.
[Chemical Properties]

Citronellyl Isobutyrate is a liquid with a sweet, fruity note and is used in perfumery for fruity, floral nuances.
[Physical properties]

Colorless liquid. Almost insoluble in water and Propylene glycol, soluble in alcohol and oils. Sp.Gr. 0.88. B.P. 249°C.
[Occurrence]

Reported in Ceylon citronella oil.
[Definition]

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

By direct esterification of citronellol with isobutyric acid via azeotropic conditions or using isobutyric anhydride.
[Taste threshold values]

Taste characteristics at 25 ppm: waxy, fruity, green, with a citrus and tropical nuance.
[Flammability and Explosibility]

Notclassified
Questions And AnswerBack Directory
[Aroma]

CITRONELLYL ISOBUTYRATE has fresh, almost citrusy-rosy, intensely fruity and sweet odor, lighter than that of the n-Butyrate, not as warm or deep. Fruity-rosy, somewhat Bergamot-like taste of modest sweetness.
[Uses in Perfume]

CITRONELLYL ISOBUTYRATE can be used in perfume compositions for Geranium, Rose, Muguet, Freesia, Peony, Acacia, Lilac, Hyacinth, Bergamot, etc. and as a modifier for lower esters of Citronellol in floral and fruity-floral, stveet fragrance types. Used in flavor compositions for imitation Grape, Quince, Raspberry, Strawberry, Rose, and in a variety of "floral" flavor types. Concentration is usually only traces (a few ppm) in the finished product.
Spectrum DetailBack Directory
[Spectrum Detail]

CITRONELLYL ISOBUTYRATE(97-89-2)IR
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