Description

Isopropyl Benzoate (CAS 939-48-0) is a high-purity ester compound with the molecular formula C₁₀H₁₂O₂, widely utilized in organic synthesis and industrial applications. This clear, colorless to pale yellow liquid exhibits a characteristic aromatic odor and is soluble in most organic solvents, making it an excellent solvent or intermediate in chemical processes. Its IUPAC name, propan-2-yl benzoate, reflects its structural composition as the isopropyl ester of benzoic acid. With a boiling point of approximately 218-220°C and a density of ~1.00 g/cm³, it offers optimal stability for formulation work. Ideal for researchers requiring precise, high-quality reagents, our Isopropyl Benzoate is rigorously tested for purity (typically ≥98% by GC) and packaged under inert conditions to ensure long shelf life and consistent performance.

Properties

• CAS Number: 939-48-0
• Complexity: 146
• IUPAC Name: isopropyl benzoate
• InChI: InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
• InChI Key: FEXQDZTYJVXMOS-UHFFFAOYSA-N
• LogP: 3.18
• Exact Mass: 164.083729621
• Molecular Formula: C10H12O2
• Molecular Weight: 164.20
• SMILES: CC(C)OC(=O)C1=CC=CC=C1
• Topological: 26.3
• Monoisotopic Mass: 164.083729621
• Physical Description: colourless oily liquid with a heavy, sweet, fruity-floral odour
• Boiling Point: 215.00 to 218.00 °C. @ 760.00 mm Hg
• Solubility: insoluble in water; soluble in organic solvents, oils
• Density: 1.005-1.011
• Refractive Index: 1.492-1.497
• Synonyms: ISOPROPYL BENZOATE, 939-48-0, propan-2-yl benzoate, Benzoic acid, 1-methylethyl ester, Benzoic acid, isopropyl ester, 1-Methylethyl benzoate, FEMA No. 2932, Isopropylester kyseliny benzoove, EINECS 213-361-6, BRN 2044384, Isopropylester kyseliny benzoove [Czech], DTXSID9044746, AI3-01132, 1Q2618834N, DTXCID7024746, ISOPROPYL BENZOATE [FHFI], 4-09-00-00289 (Beilstein Handbook Reference), BENZOIC ACID ISO-PROPYL ESTER, ISOPROPYL BENZOATE [INCI], 213-361-6, inchi=1/c10h12o2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8h,1-2h, BENZOIC ACID ISOPROPYL ESTER, MFCD00048289, Isopropylbenzoate, (1,1,1,2,3,3,3-2H7)ISOPROPYL BENZOATE, UNII-1Q2618834N, iso-propyl benzoate, Isopropyl Benzoate; Benzoic acid 1-methylethyl ester; Benzoic acid, isopropyl ester (6CI,7CI,8CI); 1-Methylethyl benzoate; Benzoic acid iso-propyl ester; Isopropyl benzoate, Benzoic acid-isopropyl ester, SCHEMBL96918, SCHEMBL128815, SCHEMBL129051, SCHEMBL130469, Isopropyl benzoate, AldrichCPR, SCHEMBL1172246, SCHEMBL1966274, SCHEMBL3026427, SCHEMBL9057098, CHEMBL2260721, FEMA 2932, CHEBI:180402, Tox21_301496, AKOS008017904, CS-W017911, HY-W017195, BENZOIC ACID 1-METHYLETHYL ESTER, NCGC00256252-01, AS-14785, CAS-939-48-0, SY050284, DB-057454, B0073, NS00012721, D88597, Q27252732, Z53835170

Application

Isopropyl Benzoate serves as a versatile solvent in organic synthesis, particularly for resins, cellulose derivatives, and fragrances. It acts as an intermediate in pharmaceutical manufacturing and is employed in the production of plasticizers and flavoring agents. In cosmetic formulations, it functions as an emollient and carrier for active ingredients due to its favorable skin absorption properties.

Safety and Hazards

GHS Hazard Statements

• H317 (19%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Precautionary Statements

• P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

Hazard Classes and Categories

• Skin Sens. 1 (19%)

If you are interested or have any questions, please contact us at support@atomfair.com

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