Description

Butyl Phenylacetate (CAS 122-43-0) is a high-purity ester compound with the molecular formula C₁₂H₁₆O₂, widely utilized in research and industrial applications. Known by its IUPAC name butyl 2-phenylacetate, this clear, colorless to pale yellow liquid exhibits a sweet, floral, and slightly fruity odor, making it valuable in fragrance and flavor formulations. With a molecular weight of 192.26 g/mol, it is characterized by its excellent solubility in organic solvents such as ethanol and ether, while being sparingly soluble in water. Our product is rigorously tested for purity (typically ≥98% by GC) and consistency, ensuring optimal performance in synthetic chemistry, perfumery, and biochemical studies. Packaged under inert conditions to prevent degradation, it is ideal for precise laboratory use, quality control, and scaling for industrial production.

Properties

• CAS Number: 122-43-0
• Complexity: 160
• IUPAC Name: butyl 2-phenylacetate
• InChI: InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
• InChI Key: LDOXTQYWWYXYSQ-UHFFFAOYSA-N
• Exact Mass: 192.115029749
• Molecular Formula: C12H16O2
• Molecular Weight: 192.25
• SMILES: CCCCOC(=O)CC1=CC=CC=C1
• Topological: 26.3
• Monoisotopic Mass: 192.115029749
• Physical Description: Colourless liquid; pleasant rose and honey-like odour
• Boiling Point: 133.00 to 135.00 °C. @ 15.00 mm Hg
• Solubility: Insoluble in water; soluble in oils
• Density: 0.990-0.997
• Refractive Index: 1.486-1.493
• Synonyms: Butyl phenylacetate, butyl 2-phenylacetate, Benzeneacetic acid, butyl ester, n-Butyl phenylacetate, Butyl benzene acetate, Butyl alpha-toluate, Butyl benzeneacetate, Butyl phenylethanoate, Phenylethanoic acid butyl ester, ACETIC ACID, PHENYL-, BUTYL ESTER, FEMA No. 2209, UNII-TR6RZ109SI, EINECS 204-543-6, TR6RZ109SI, BRN 2046682, AI3-02942, n-Butyl phenyl acetate, BUTYL .ALPHA.-TOLUATE, DTXSID9059541, BUTYL PHENYLACETATE [FCC], BUTYL PHENYLACETATE [FHFI], 4-09-00-01619 (Beilstein Handbook Reference), Benzoate butyl ester, N-Butyl benzoic acid, Benzoate, butyl ester, Benzoate N-butyl ester, DTXCID8033728, 204-543-6, butyl benzoic acid, ldoxtqywwyxysq-uhfffaoysa-n, 122-43-0, Phenylacetic acid butyl ester, 2-phenylacetic acid butyl ester, BUTYL PHENYL ACETATE, Butylphenylacetat, SCHEMBL456516, SCHEMBL4207974, SCHEMBL4207976, SCHEMBL5675140, SCHEMBL7499873, FEMA 2209, CHEBI:179903, SBB060334, AKOS015890782, Butyl phenylacetate, >=98%, FCC, FG, AS-77100, CS-0456232, NS00012061, ST51046537, Q27290201

Application

Butyl phenylacetate is primarily used as a fragrance intermediate in the production of perfumes, soaps, and cosmetics due to its pleasant floral aroma. In the flavor industry, it serves as a synthetic flavoring agent, imparting sweet, honey-like notes to food and beverage products. Researchers also employ it as a solvent or intermediate in organic synthesis, particularly in esterification and transesterification reactions.

Safety and Hazards

GHS Hazard Statements

• H315 (30.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (30.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (30.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (30.8%): 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, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (30.8%)
• Eye Irrit. 2 (30.8%)
• Acute Tox. 4 (30.8%)
• STOT SE 3 (30.8%)

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