CAS 94-46-2

Isoamyl benzoate

Description:

Isoamyl benzoate, with the CAS number 94-46-2, is an organic compound classified as an ester. It is formed from the reaction of isoamyl alcohol and benzoic acid. This substance typically appears as a colorless to pale yellow liquid with a pleasant, fruity odor reminiscent of bananas, making it popular in the fragrance and flavoring industries. Isoamyl benzoate has a relatively low boiling point and is soluble in organic solvents, but it has limited solubility in water. Its chemical formula is C12H14O2, and it has a molecular weight of approximately 190.24 g/mol. Isoamyl benzoate is often used as a flavoring agent in food products and as a fragrance component in perfumes and cosmetics. Additionally, it may have applications in the production of certain plastics and as a solvent in various chemical processes. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes.

Formula: C₁₂H₁₆O₂

InChI: InChI=1/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChI key: InChIKey=MLLAPOCBLWUFAP-UHFFFAOYSA-N

SMILES: C(OCCC(C)C)(=O)C1=CC=CC=C1

Synonyms:

• 1-Butanol, 3-methyl-, 1-benzoate
• 1-Butanol, 3-methyl-, benzoate
• 3-Methyl-1-Butanol Benzoate
• 3-Methylbutyl Benzoate
• Benzoic Acid Isopentyl Ester
• Benzoic acid isoamyl ester
• Isoamyl Benzoate
• Isopentyl alcohol, benzoate
• NSC 9284
• iso-Amyl benzoate
• iso-Pentyl benzoate
• Isopentyl benzoate
• AMYL BENZOATE
• isopentylalcohol,benzoate
• benzoicacid,1-(3-methyl)butylester
• benzoicacid3-methylbutylester
• 1-(3-Methyl)butyl benzoate
• FEMA 2058
• Benzoic acid, 3-methylbutyl ester
• 3-methyl-1-butanobenzoate
• benzoicacid3-methyl-butylester
• AMYL (ISO) BENZOATE
• Benzoic acid, 1-(3-methyl)butyl ester
• 3-methylbutylbenzoate

Isoamyl Benzoate

CAS: 94-46-2

Color and Shape: Neat

Ref: 61-FOR1086.00

Isopentyl benzoate

CAS: 94-46-2

Formula: C₁₂H₁₆O₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 192.2542

Ref: IN-DA003R26

Isoamyl Benzoate

CAS: 94-46-2

Isoamyl Benzoate

Purity: 98%

Molecular weight: 192.25g/mol

Ref: 54-OR1013574

Isoamyl Benzoate

CAS: 94-46-2

Formula: C₁₂H₁₆O₂

Color and Shape: Colourless Liquid

Molecular weight: 192.26

Ref: 4Z-M-483

Benzoic acid-(3-methylbutyl) ester

CAS: 94-46-2

Formula: C₁₂H₁₆O₂

Color and Shape: Neat

Molecular weight: 192.25

Ref: 04-C10537790

Isoamyl Benzoate

Controlled Product

CAS: 94-46-2

Formula: C₁₂H₁₆O₂

Color and Shape: Neat

Molecular weight: 192.25

Ref: 86-MM1086.00

Isoamyl Benzoate

CAS: 94-46-2

Formula: C₁₂H₁₆O₂

Purity: >98.0%(GC)

Color and Shape: Colorless clear liquid

Molecular weight: 192.26

Ref: 3B-B0071

Isopentyl benzoate

CAS: 94-46-2

Formula: C₁₂H₁₆O₂

Purity: 98%

Molecular weight: 192.258

Ref: 10-F242224

Isoamyl Benzoate

CAS: 94-46-2

Isoamyl benzoate is a light-sensitive, colorless liquid that is soluble in water. It is used as a solvent for cellulose acetate and nitrocellulose, or as an intermediate to produce other chemicals. Isoamyl benzoate is an alkanoic acid with a hydroxyl group on the second carbon atom of the molecule. The reaction mechanism of this compound has been studied by kinetic data, which shows that it occurs through a radical chain mechanism involving hydrogen abstraction from the alkane by a peroxy radical. Isoamyl benzoate has also been shown to react with fatty acids to form glycol esters or glycol ethers. This reaction can be catalyzed by light exposure and particle size.

Formula: C₁₂H₁₆O₂

Purity: Min. 95%

Molecular weight: 192.26 g/mol

Ref: 3D-AAA09446