Description

Propyl Benzoate (CAS No. 2315-68-6) is a high-purity ester compound with the molecular formula C₁₀H₁₂O₂, widely utilized in research and industrial applications. This clear, colorless to pale yellow liquid exhibits a characteristic aromatic odor and is soluble in organic solvents such as ethanol, ether, and chloroform, while being insoluble in water. With a boiling point of approximately 230°C and a molecular weight of 164.20 g/mol, Propyl Benzoate is a versatile reagent for organic synthesis, particularly in the production of fragrances, flavorings, and plasticizers. Its stability under standard conditions and compatibility with various chemical processes make it a preferred choice for laboratories and manufacturers. Available in multiple packaging options, our product is rigorously tested to ensure ≥98% purity (GC), meeting the stringent requirements of pharmaceutical, cosmetic, and chemical research.

Properties

• CAS Number: 2315-68-6
• Complexity: 137
• IUPAC Name: propyl benzoate
• InChI: InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
• InChI Key: UDEWPOVQBGFNGE-UHFFFAOYSA-N
• LogP: 3.01
• Exact Mass: 164.083729621
• Molecular Formula: C10H12O2
• Molecular Weight: 164.20
• SMILES: CCCOC(=O)C1=CC=CC=C1
• Topological: 26.3
• Monoisotopic Mass: 164.083729621
• Physical Description: Liquid
• Boiling Point: 229.00 to 231.00 °C. @ 760.00 mm Hg
• Melting Point: -51 – -52 °C
• Solubility: 0.351 mg/mL at 25 °C
• Density: 1.020-1.026
• Refractive Index: 1.498-1.503
• Synonyms: PROPYL BENZOATE, Benzoic acid, propyl ester, n-Propyl benzoate, Propyl benzenecarboxylate, Benzoic acid n-propyl ester, Benzoate de propyle, FEMA No. 2931, UNII-VWK210B7WS, VWK210B7WS, DTXSID4044878, EINECS 219-020-8, NSC 229333, NSC-229333, AI3-01973, PROPYL BENZOATE [FHFI], DTXCID2024878, FEMA 2931, CHEBI:156072, propyl benzoic acid, PROPYL BENZOATE [INCI], 219-020-8, udewpovqbgfnge-uhfffaoysa-n, 2315-68-6, Benzoic Acid Propyl Ester, NCGC00159383-02, NCGC00159383-04, CAS-2315-68-6, propyl-benzoate, 1-propyl benzoate, Propyl Benzoate; Benzoic acid, propyl ester; NSC 229333; Propyl benzoate; n-Propyl benzoate, MFCD00009370, Benzoic acid,propylester, Propyl benzoate, 99%, Benzoic acid-propyl ester, n-propyl benzenecarboxylate, SCHEMBL127761, SCHEMBL130761, SCHEMBL130905, SCHEMBL132053, SCHEMBL298607, SCHEMBL332835, SCHEMBL1219383, CHEMBL1355077, MSK2560, Tox21_111621, Tox21_301605, NSC229333, SBB061241, AKOS008947829, Tox21_111621_1, GS-3390, NCGC00159383-03, NCGC00256062-01, DB-046092, B0076, CS-0152062, NS00013161, ST50405242, D70394, SBI-0654049.0001, EN300-7794258, SR-01000944754, Q7250465, SR-01000944754-1, BRD-K15329706-001-01-6, Z53835171

Application

Propyl Benzoate is commonly employed as a flavor and fragrance intermediate due to its sweet, balsamic odor. In the pharmaceutical industry, it serves as a solvent or excipient in drug formulations. Researchers also utilize it as a precursor in organic synthesis for esters and other derivatives. Additionally, it finds application in polymer science as a plasticizer to enhance material flexibility.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 94 of 95 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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