CAS 103-52-6: 2-Phenylethyl butanoate

Description: 2-Phenylethyl butanoate, with the CAS number 103-52-6, is an ester formed from the reaction of butanoic acid and 2-phenylethanol. This compound is characterized by its pleasant, fruity aroma, making it a popular choice in the flavor and fragrance industries. It typically appears as a colorless to pale yellow liquid and is known for its low volatility and moderate solubility in water, while being more soluble in organic solvents. The molecular structure features a butanoate group attached to a phenylethyl moiety, contributing to its unique sensory properties. In terms of stability, 2-phenylethyl butanoate is relatively stable under standard conditions but may undergo hydrolysis in the presence of strong acids or bases. Its applications extend beyond flavoring and fragrance, as it can also serve as a chemical intermediate in organic synthesis. Safety data indicates that, while generally regarded as safe in low concentrations, it should be handled with care to avoid potential irritation or allergic reactions.

Formula: C₁₂H₁₆O₂

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

InChI key: InChIKey=WFNDDSQUKATKNX-UHFFFAOYSA-N

SMILES: O=C(OCCC=1C=CC=CC1)CCC

Synonyms:

• AI3-02954
• Phenethyl alcohol, butyrate
• FEMA No. 2861
• 2-Phenylethyl butyrate
• Butyric acid, phenethyl ester
• Benzylcarbinyl butyrate
• 2-Phenethyl butanoate
• 4-06-00-03073 (Beilstein Handbook Reference)
• Butanoic acid, 2-phenylethyl ester
• NSC 1271
• Phenethyl butyrate
• Benzylcarbinyl butyrate
• beta-Phenethyl n-butanoate
• Benzylcarbinyl 2-methylpropanoate
• Phenethyl 2-methylpropanoate
• Butyric acid, phenethyl ester
• Phenethyl butanoate
• Phenethyl butyrate (natural)
• BRN 1955788
• 2-Phenylethyl butanoate
• Phenylethyl butyrate

Phenethyl butyrate

CAS: 103-52-6

• Formula: C₁₂H₁₆O₂
• Purity: 98%
• Color and Shape: Liquid
• Molecular weight: 192.2542

Phenethyl Butyrate

CAS: 103-52-6

• Purity: 98%+
• Molecular weight: 192.25g/mol

Phenethyl Butyrate

CAS: 103-52-6

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

Phenethyl butyrate

CAS: 103-52-6

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• Formula: C₁₂H₁₆O₂
• Color and Shape: Clear Liquid
• Molecular weight: 192.25 g/mol

Phenethyl butyrate

CAS: 103-52-6

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• Formula: C₁₂H₁₆O₂
• Purity: Min. 95%
• Molecular weight: 192.25 g/mol