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2349-13-5

2349-13-5 Structure

2349-13-5 Structure
IdentificationBack Directory
[Name]

HEPTYL ISOBUTYRATE
[CAS]

2349-13-5
[Synonyms]

ENT 21506
FEMA 2550
HEPTYL ISOBUTYRATE
HeptyI isobutyrate
HEPTYL ISOBUTYRATE 98+%
Heptyl 2-methylpropanoate
PROPANOICACID,2-METHYL-,HEP
HEPTYL ISOBUTYRATE USP/EP/BP
Isobutyric acid, heptyl ester
2-methyl-propanoicaciheptylester
2-methylpropionic acid heptyl ester
Propanoic acid, 2-methyl-, heptyl ester
[EINECS(EC#)]

219-076-3
[Molecular Formula]

C11H22O2
[MDL Number]

MFCD00129704
[MOL File]

2349-13-5.mol
[Molecular Weight]

186.29
Chemical PropertiesBack Directory
[Melting point ]

-57.5°C (estimate)
[Boiling point ]

212 °C(lit.)
[density ]

0.863 g/mL at 25 °C(lit.)
[FEMA ]

2550 | HEPTYL ISOBUTYRATE
[refractive index ]

n20/D 1.418(lit.)
[Fp ]

183 °F
[Odor]

at 100.00 %. sweet green fruity warm floral apple cherry apricot
[Odor Type]

fruity
[JECFA Number]

190
[LogP]

4.24
[Uses]

Heptyl Isobutyrate is a synthetic flavoring agent that is a stable, colorless liquid of fruity odor. it should be stored in glass or tin con- tainers. it is used in flavors for pineapple, pear, and orange with applications in beverages, ice cream, candy, and baked goods at 1–3 ppm.
[EPA Substance Registry System]

Propanoic acid, 2-methyl-, heptyl ester (2349-13-5)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isobutyric acid-->1-Heptanol
Hazard InformationBack Directory
[Description]

Heptyl isobutyrate has a characteristic woody odor with distinctly herbaceous, sweet undernotes and a sweet herbaceous, fruity, and slightly warm, floral taste. Synthesis: By esterification of n-heptanol with isobutyric acid.
[Chemical Properties]

Heptyl isobutyrate has a characteristic woody odor with distinctly herbaceous, sweet undernotes and a sweet, herba- ceous, fruity and slightly warm, foral taste.
[Occurrence]

Reported found in the essential oil of hops
[Definition]

ChEBI: Heptyl 2-methylpropanoate is a carboxylic ester.
[Preparation]

By esterifcation of n-heptanol with isobutyric acid.
[Aroma threshold values]

Detection: 12 to 13 ppb.
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