CAS 102-13-6: Isobutyl phenylacetate

Description: Isobutyl phenylacetate, with the CAS number 102-13-6, is an organic compound classified as an ester. It is formed from the reaction of isobutyl alcohol and phenylacetic acid. This compound typically appears as a colorless to pale yellow liquid with a pleasant, fruity odor, making it useful in the fragrance and flavoring industries. Isobutyl phenylacetate is known for its relatively low volatility and moderate solubility in water, while being more soluble in organic solvents. Its chemical structure features a phenyl group attached to an acetate moiety, contributing to its aromatic characteristics. In terms of stability, it is generally stable under normal conditions but may undergo hydrolysis in the presence of strong acids or bases. Safety data indicates that it should be handled with care, as it may cause irritation to the skin and eyes. Overall, isobutyl phenylacetate is valued for its sensory properties and is utilized in various applications, including perfumes, cosmetics, and food flavoring.

Formula: C₁₂H₁₆O₂

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

InChI key: InChIKey=RJASFPFZACBKBE-UHFFFAOYSA-N

SMILES: O=C(OCC(C)C)CC=1C=CC=CC1

Synonyms:

• 2-Methylpropyl 2-phenylacetate
• 2-Methylpropyl Benzoate
• 2-Methylpropyl benzeneacetate
• 2-Methylpropyl phenylacetate
• Acetic acid, phenyl-, isobutyl ester
• Acetic acid, phenyl-, isobutyl ester (6CI,8CI)
• Ai3-01969
• Benzeneacetic acid, 2-methylpropyl ester
• Butan-2-Yl Phenylacetate
• Ccris 7324
• FEMA No. 2210
• Isobutyl alpha-toluate
• Isobutyl phenylethanoate
• Isobutyl α-toluate
• Nsc 6602
• Phenylacetic acid, isobutyl ester
• Unii-2Qk898564G
• Isobutyl phenylacetate

Isobutyl Phenylacetate

CAS: 102-13-6

• Formula: C₁₂H₁₆O₂
• Purity: >98.0%(GC)
• Color and Shape: Colorless to Light yellow clear liquid
• Molecular weight: 192.26

Benzeneacetic acid, 2-methylpropyl ester

CAS: 102-13-6

• Formula: C₁₂H₁₆O₂
• Purity: 99%
• Color and Shape: Liquid
• Molecular weight: 192.2542

Isobutyl Phenylacetate

CAS: 102-13-6

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• Formula: C₁₂H₁₆O₂
• Purity: Min. 95%
• Molecular weight: 192.26 g/mol