ChemicalBook--->CAS DataBase List--->7779-72-8

7779-72-8

7779-72-8 Structure

7779-72-8 Structure
IdentificationBack Directory
[Name]

ISOAMYL PYRUVATE
[CAS]

7779-72-8
[Synonyms]

FEMA 2083
ISOAMYL PYRUVATE
isopentyl pyruvate
ISOAMYL PYRUVATE 97+%
Pyruvic acid 3-methylbutyl ester
2-Oxopropanoic acid 3-methylbutyl ester
Propanoic acid, 2-oxo-, 3-methylbutyl ester
[EINECS(EC#)]

231-934-9
[Molecular Formula]

C8H14O3
[MDL Number]

MFCD00238527
[MOL File]

7779-72-8.mol
[Molecular Weight]

158.19
Chemical PropertiesBack Directory
[Boiling point ]

185 °C(lit.)
[density ]

0.978 g/mL at 25 °C(lit.)
[FEMA ]

2083 | ISOAMYL PYRUVATE
[refractive index ]

n20/D 1.419(lit.)
[Fp ]

169 °F
[Odor]

at 100.00 %. caramellic balsamic rummy arrack fruity
[biological source]

synthetic
[Odor Type]

balsamic
[JECFA Number]

939
[Major Application]

flavors and fragrances
[InChI]

1S/C8H14O3/c1-6(2)4-5-11-8(10)7(3)9/h6H,4-5H2,1-3H3
[InChIKey]

LBKWGGFVEDOVEP-UHFFFAOYSA-N
[SMILES]

CC(C)CCOC(=O)C(C)=O
[LogP]

1.46
[CAS DataBase Reference]

7779-72-8
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Description]

May be synthesized by air oxidation of boiling isoamyl lactate; also by reacting methyl magnesium iodide over isoamyl α-hydroxy isobutyrate.
[Chemical Properties]

Isoamyl pyruvate has a fresh, caramel-rum odor with fruity, floral undertones
[Definition]

ChEBI:3-Methylbutyl 2-oxopropanoate is an oxo carboxylic acid.
[Preparation]

By air oxidation of boiling isoamyl lactate; also by reacting methyl magnesium iodide over isoamyl α-hydroxy isobutyrate
[Production Methods]

Isoamyl pyruvate can be produced from Pyruvic acid and iso-Amyl alcohol by direct esterification under azeotropic conditions.
Questions And AnswerBack Directory
[Aroma]

Fresh ethereal caramel-Rum-like odor with fruity-floral undertones. Sweet ethereal-fruity, caramellic taste. Occasionally used in perfumery to introduce an ethereal topnote e.g. in citrusy Colognes, etc. Used in flavor compositions for Arak, Fruit (Tutti-frutti), Maple, Rum, etc. Concentration up to 12 ppm in finished product.
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