Description

Ethyl 4-phenylbutanoate (CAS No. 10031-93-3) is a high-purity aromatic ester widely utilized in pharmaceutical research, flavor and fragrance formulations, and organic synthesis. With the molecular formula C₁₂H₁₆O₂, this compound exhibits a fruity, sweet, and slightly floral aroma, making it a valuable ingredient in perfumery and food flavoring applications. It is synthesized through esterification of 4-phenylbutanoic acid with ethanol, ensuring exceptional consistency and low impurity levels. Available in liquid form with a clear to pale-yellow appearance, Ethyl 4-phenylbutanoate is characterized by its excellent solubility in organic solvents, including ethanol and diethyl ether. Suitable for GC-MS and HPLC analysis, it meets rigorous industry standards for purity (>98%) and stability under controlled storage conditions (2-8°C). Ideal for researchers requiring precise aromatic esters in synthetic chemistry, sensory science, or material science applications.

Properties

• CAS Number: 10031-93-3
• Complexity: 160
• IUPAC Name: ethyl 4-phenylbutanoate
• InChI: InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
• InChI Key: GGFNXKFGVQQNRV-UHFFFAOYSA-N
• Exact Mass: 192.115029749
• Molecular Formula: C12H16O2
• Molecular Weight: 192.25
• SMILES: CCOC(=O)CCCC1=CC=CC=C1
• Topological: 26.3
• Monoisotopic Mass: 192.115029749
• Physical Description: Colourless slightly oily liquid; Fruity, floral aroma
• Boiling Point: 275.00 to 276.00 °C. @ 760.00 mm Hg
• Solubility: Soluble in oils; Insoluble in water
• Density: 0.986-0.992
• Refractive Index: 1.489-1.495
• Synonyms: Ethyl 4-phenylbutanoate, 10031-93-3, Ethyl 4-phenylbutyrate, Benzenebutanoic acid, ethyl ester, Ethyl 4-phenyl butyrate, Ethyl benzenebutanoate, Ethyl gamma-phenylbutyrate, FEMA No. 2453, UNII-BU9R7P5U55, BU9R7P5U55, NSC-163318, Ethyl .gamma.-phenylbutyrate, AI3-34131, DTXSID90143132, ETHYL 4-PHENYLBUTYRATE [FHFI], NSC 163318, DTXCID7065623, Butyric acid, 4-phenyl-ethyl ester, 600-062-4, ggfnxkfgvqqnrv-uhfffaoysa-n, Benzenebutanoic Acid Ethyl Ester, Butyric acid, 4-phenyl-, ethyl ester, MFCD00026923, 4-phenylbutyric acid ethyl ester, 4-phenyl-butyric acid ethyl ester, Ethyl 4-phenylbutanoate; Ethyl 4-phenylbutyrate; NSC 163318, ethyl phenethyl acetate, Ethyl 4-phenylbutanoate #, SCHEMBL260297, SCHEMBL5817841, SCHEMBL8733391, CHEMBL5193489, SCHEMBL27517126, FEMA 2453, CHEBI:179907, AR3071, BBL104183, LMFA07010871, NSC163318, STL557997, AKOS005216724, CS-W010703, AS-45517, SY051383, E1027, NS00021426, Q27274890

Ethyl 4-phenylbutanoate is primarily used as a flavor and fragrance additive in food, cosmetics, and perfumes due to its sweet, berry-like scent. In pharmaceutical research, it serves as an intermediate in the synthesis of active compounds targeting neurological and metabolic disorders. Additionally, it finds application in organic synthesis for the preparation of esters and fine chemicals requiring phenyl-substituted butyrate derivatives.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.