ChemicalBook--->CAS DataBase List--->84642-61-5

84642-61-5

84642-61-5 Structure

84642-61-5 Structure
IdentificationBack Directory
[Name]

FEMA 3332
[CAS]

84642-61-5
[Synonyms]

FEMA 3332
ACETOIN BUTYRATE
FEMA 3332 USP/EP/BP
3-Oxobutan-2-yl butyrate
BUTAN-3-ONE-2-YL BUTYRATE
BUTAN-3-ONE-2-YL BUTANOATE
1-methyl-2-oxopropyl butyrate
BUTAN-3-ONE-2-YL BUTANOATE, NATURAL
BUTAN-3-ONE-2-YL BUTANOATE 98+% FCC
Butanoic acid, 1-methyl-2-oxopropyl ester
[EINECS(EC#)]

283-438-7
[Molecular Formula]

C8H14O3
[MDL Number]

MFCD00053090
[MOL File]

84642-61-5.mol
[Molecular Weight]

158.19
Chemical PropertiesBack Directory
[Boiling point ]

207℃
[density ]

0.982 g/mL at 25 °C
[FEMA ]

3332 | BUTAN-3-ONE-2-YL BUTANOATE
[refractive index ]

n20/D 1.4185(lit.)
[Fp ]

179 °F
[Odor]

at 10.00 % in propylene glycol. fruity cheese acetic creamy dried berry butter
[biological source]

synthetic
[Odor Type]

creamy
[JECFA Number]

407
[Major Application]

flavors and fragrances
[InChI]

1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3
[InChIKey]

LJDWJXUIGKSETE-UHFFFAOYSA-N
[SMILES]

CCCC(=O)OC(C)C(C)=O
[LogP]

1.74
Safety DataBack Directory
[Safety Statements ]

23-24/25
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Butyric Acid
Hazard InformationBack Directory
[Chemical Properties]

It has a fruity, cheese, sweet, red berry-like odor.
[Occurrence]

Reported found in melon, naranjilla fruit (Solanum quitense Lam.) and pawpaw (Asemina triloba Dunal.).
[Uses]

flavors and fragrances
[Definition]

ChEBI: 1-Methyl-2-oxopropyl butyrate is a fatty acid ester.
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 3332(84642-61-5)1HNMR
FEMA 3332(84642-61-5)IR
FEMA 3332(84642-61-5)FT-IR
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