ChemicalBook--->CAS DataBase List--->2308-18-1

2308-18-1

2308-18-1 Structure

2308-18-1 Structure
IdentificationBack Directory
[Name]

ACETOACETIC ACID ISOAMYL ESTER
[CAS]

2308-18-1
[Synonyms]

ISOAMYL ACETOACETATE
ISOPENTYL ACETOACETATE
Isopentyl 3-oxobutanoate
3-methylbutyl 3-oxobutanoate
ACETOACETIC ACID ISOAMYL ESTER
Acetoacetic acid isopentyl ester
3-ketobutyric acid isoamyl ester
3-oxo-butanoicaci3-methylbutylester
Acetoacetic acid 3-methylbutyl ester
3-Oxobutanoic acid 3-methylbutyl ester
Butanoic acid, 3-oxo-, 3-methylbutyl ester
Acetoacetic Acid Isoamyl Ester Isopentyl Acetoacetate
[EINECS(EC#)]

218-991-5
[Molecular Formula]

C9H16O3
[MDL Number]

MFCD00059355
[MOL File]

2308-18-1.mol
[Molecular Weight]

172.22
Chemical PropertiesBack Directory
[Boiling point ]

218°C
[density ]

0,97 g/cm3
[FEMA ]

3551 | ISOAMYL ACETOACETATE
[refractive index ]

n20/D 1.429(lit.)
[Fp ]

101°C
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

Oil
[pka]

10.67±0.46(Predicted)
[color ]

Colourless
[Odor]

at 100.00 %. ethereal sweet wine green fermented
[Odor Type]

ethereal
[JECFA Number]

598
[LogP]

2.13
[Uses]

Isoamyl Acetoacetate is a synthetic flavoring agent that is a stable, colorless liquid of light green leaf-fruity odor. It should be stored in glass or tin containers. It is used in currant and berry flavors for applications in beverages, candy, and ice cream at 5–15 ppm.
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[HS Code ]

2915.39.9000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Methyl-1-butanol
Hazard InformationBack Directory
[Description]

Isoamyl acetoacetate has an ethereal, sweet, winey odor and a green-apple flavor. May be prepared by transesterification of ethyl acetylacetate with isoamyl alcohol in the presence of sodium.
[Chemical Properties]

Isoamyl acetoacetate has an ethereal, sweet, winy odor; green-apple flavor.
[Definition]

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

By transesterification of ethyl acetylacetate with isoamyl alcohol in the presence of sodium.
Spectrum DetailBack Directory
[Spectrum Detail]

ACETOACETIC ACID ISOAMYL ESTER(2308-18-1)MS
ACETOACETIC ACID ISOAMYL ESTER(2308-18-1)1HNMR
ACETOACETIC ACID ISOAMYL ESTER(2308-18-1)IR1
ACETOACETIC ACID ISOAMYL ESTER(2308-18-1)Raman
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