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109-20-6

109-20-6 Structure

109-20-6 Structure
IdentificationMore
[Name]

GERANYL ISOVALERATE
[CAS]

109-20-6
[Synonyms]

FEMA 2518
GERANYL 3-METHYLBUTYRATE
GERANYL ISOVALERATE
ISOVALERIC ACID GERANYL ESTER
TRANS-3 7-DIMETHYL-2 6-OCTADIEN-1-OL METHYLBUTYRATE
TRANS-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ISOPENTANOATE
(2E)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate
2,6-Octadien-1-ol, 3,7-dimethyl-, isovalerate, (E)-
3,7-dimethyl-,isovalerate,(e)-6-octadien-1-ol
3,7-dimethyl-2,6-octadienylester,(e)-isovalericaci
3-methyl-,3,7-dimethyl-2,6-octadienylester,(e)-butanoicaci
3-methyl-,3,7-dimethyl-2,6-octadienylester,(E)-Butanoicacid
3-methyl-,3,7-dimethyl-2,6-octadienylester,(e)-butyricaci
3-methyl-butanoicacidtrans-3,7-dimethyl-oct-2,6-dien-1-ylester
3-methylbutanoicacidtrans-3,7-dimethyl-oct-2,6-dien-1-ylester
Butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
Butyric acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
Geranyl isopentanoate
geranyl3-methylbutanoate
Isovaleric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
[EINECS(EC#)]

203-655-2
[Molecular Formula]

C15H26O2
[MDL Number]

MFCD00036514
[Molecular Weight]

238.37
[MOL File]

109-20-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

279 °C(lit.)
[density ]

0.89 g/mL at 25 °C(lit.)
[FEMA ]

2518
[refractive index ]

n20/D 1.458(lit.)
[Fp ]

113 °C
[storage temp. ]

Store at room temperature
[solubility ]

Insoluble in water, soluble in alcohol and oils
[form ]

oily liquid
[color ]

A colourless oily liquid.
[Odor]

at 100.00 %. green fruity apple blueberry pineapple
[biological source]

synthetic
[Odor Type]

fruity
[JECFA Number]

75
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
[InChIKey]

SOUKTGNMIRUIQN-NTEUORMPSA-N
[SMILES]

CC(C)CC(=O)OC\C=C(/C)CC\C=C(\C)C
[LogP]

5.47
[Uses]

Geranyl Isovalerate is a synthetic flavoring agent that is a moderately stable, light yellow liquid of fruity odor. it should be stored in glass or tin containers. it is used in fruit flavors such as apple or pear with applications in beverages, ice cream, candy, and baked goods at 4–11 ppm.
[CAS DataBase Reference]

109-20-6(CAS DataBase Reference)
[EPA Substance Registry System]

Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester (109-20-6)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
[WGK Germany ]

2
[RTECS ]

RG5927700
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
[Safety Profile]

A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Levenstein, 1975).
Hazard InformationBack Directory
[Description]

Geranyl isovalerate has a rose odor with an apple-pineapple undertone and a sweet apple taste.
[Chemical Properties]

Geranyl isovalerate has a rose odor with an apple–pineapple undertone and sweet apple taste.
[Chemical Properties]

Geranyl Isovalerate is a liquid with a strongly fruity rose odor. It is used in perfume and flavor compositions.
[Occurrence]

Reported found in Eucalyptus citriodora Hook, kumquat peel oil, lovage root and lovage leaf
[Definition]

ChEBI:Geranyl 3-methylbutanoate is a carboxylic ester.
[Preparation]

By direct esterification of geraniol with isovaleric acid under azeotropic conditions (Arctander, 1969).
[Taste threshold values]

Taste characteristics at 15 ppm: green, fruity, oily, herbal and melon-like.
Spectrum DetailBack Directory
[Spectrum Detail]

GERANYL ISOVALERATE(109-20-6)1HNMR
GERANYL ISOVALERATE(109-20-6)13CNMR
GERANYL ISOVALERATE(109-20-6)IR1
GERANYL ISOVALERATE(109-20-6)IR2
GERANYL ISOVALERATE(109-20-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

109-20-6(sigmaaldrich)
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