Description

Propylbenzene (CAS No. 103-65-1) is an aromatic hydrocarbon with the molecular formula C₉H₁₂, widely utilized in organic synthesis and industrial applications. This clear, colorless liquid exhibits a characteristic aromatic odor and is highly flammable. With a boiling point of approximately 159°C and a density of 0.862 g/cm³, Propylbenzene is an essential solvent and intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its high purity grade (>99%) ensures optimal performance in research and manufacturing processes. Proper storage in a cool, well-ventilated area away from ignition sources is recommended to maintain stability and safety.

Properties

• CAS Number: 103-65-1
• Complexity: 60.4
• IUPAC Name: propylbenzene
• InChI: InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
• InChI Key: ODLMAHJVESYWTB-UHFFFAOYSA-N
• LogP: log Kow= 3.69
• Exact Mass: 120.093900383
• Molecular Formula: C9H12
• Molecular Weight: 120.19
• SMILES: CCCC1=CC=CC=C1
• Monoisotopic Mass: 120.093900383
• Physical Description: N-propyl benzene appears as a clear colorless liquid. Insoluble in water and less dense than water. Flash point 86 °F. Mildly toxic by ingestion and inhalation. Used to make other chemicals.
• Color/Form: Colorless liquid
• Boiling Point: 318.2 °F at 760 mmHg
• Melting Point: -146.2 °F
• Flash Point: 118 °F
• Solubility: Very slightly sol in water ; sol in alcohol, ether
• Density: 0.862 – Less dense than water; will float
• Vapor Density: 4.14
• Vapor Pressure: 7.52 mmHg
• Henry’s Law Constant: Henry’s Law constant= 1.05X10-2 atm-cu m/mol @ 25 °C
• Autoignition Temperature: 842 °F
• Refractive Index: Index of refraction: 1.4920 @ 20 °C/D
• Synonyms: Propylbenzene, N-PROPYLBENZENE, 103-65-1, 1-Phenylpropane, Phenylpropane, Isocumene, 1-Propylbenzene, n-Propyl benzene, Propylbenzene, n-, propyl benzene, NSC 16941, HSDB 5353, UNII-0WR86ZHG2Z, EINECS 203-132-9, 0WR86ZHG2Z, DTXSID3042219, CHEBI:42630, AI3-23862, NSC-16941, DTXCID1022219, benzene, propyl, 203-132-9, Benzene, propyl-, Propyl-benzene, CHEMBL286062, Propylbenzene, analytical standard, UN2364, Propylbenzene (all isomers), 3H0, Benzene, n-propyl-, MFCD00009377, PRPH, Propylbenzene, 98%, BENZENE,PROPYL, SCHEMBL470, PROPYLBENZENE [MI], SCHEMBL3012, SCHEMBL17730, SCHEMBL17731, SCHEMBL40575, SCHEMBL66833, SCHEMBL96978, SCHEMBL96979, SCHEMBL97491, WLN: 3R, SCHEMBL128292, SCHEMBL209994, SCHEMBL526546, SCHEMBL833722, N-PROPYLBENZENE [HSDB], SCHEMBL1278624, SCHEMBL1777005, SCHEMBL1777556, SCHEMBL2470160, SCHEMBL3630769, SCHEMBL3949316, SCHEMBL5248492, SCHEMBL5350116, SCHEMBL7456676, SCHEMBL9146773, SCHEMBL9788933, SCHEMBL11124919, SCHEMBL15735117, SCHEMBL18191683, SCHEMBL20183502, SCHEMBL22284128, HMS3754O19, Propylbenzene, >=99.0% (GC), NSC16941, QCA08758, Tox21_300567, BDBM50167945, SBB061210, AKOS000120950, FP54926, UN 2364, NCGC00248093-01, NCGC00254532-01, CAS-103-65-1, NS00006753, P0523, S0656, ST50409514, EN300-20607, n-Propyl benzene [UN2364] [Flammable liquid], A800778, Q288806, Z104479154, InChI=1/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H

Application

Propylbenzene is primarily used as a solvent and intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. It serves as a precursor in the synthesis of cumene and other alkylbenzenes, which are vital in polymer and resin manufacturing. Researchers also employ Propylbenzene in kinetic and thermodynamic studies due to its well-defined aromatic properties.

Safety and Hazards

GHS Hazard Statements

• H226: Flammable liquid and vapor [Warning Flammable liquids]
• H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (> 99.9%)
• Asp. Tox. 1 (> 99.9%)
• Eye Irrit. 2 (10.4%)
• STOT SE 3 (> 99.9%)
• Aquatic Chronic 2 (> 99.9%)

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