Description

1,3-Diethylbenzene (CAS No. 141-93-5) is a high-purity aromatic hydrocarbon with the molecular formula C₁₀H₁₄. This colorless to pale-yellow liquid is a valuable intermediate in organic synthesis and industrial applications. As a derivative of benzene, it features two ethyl groups substituted at the 1 and 3 positions, offering unique reactivity for electrophilic aromatic substitution and other transformations. Our product is rigorously tested to ensure >98% purity (GC), with low levels of non-volatile residues and moisture, making it ideal for sensitive research and process chemistry. Packaged under inert gas in amber glass bottles or stainless-steel containers to ensure stability. Suitable for use as a solvent, ligand modifier, or precursor in pharmaceuticals, agrochemicals, and advanced material synthesis.

Key Specifications:
– Molecular Weight: 134.22 g/mol
– Boiling Point: 181-183°C
– Density: 0.862 g/mL at 25°C
– Refractive Index: n²⁰_D 1.495-1.497
– Flash Point: 57°C (closed cup)

Properties

• CAS Number: 141-93-5
• Complexity: 76
• IUPAC Name: 1,3-diethylbenzene
• InChI: InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3
• InChI Key: AFZZYIJIWUTJFO-UHFFFAOYSA-N
• LogP: log Kow= 4.44
• Exact Mass: 134.109550447
• Molecular Formula: C10H14
• Molecular Weight: 134.22
• SMILES: CCC1=CC(=CC=C1)CC
• Monoisotopic Mass: 134.109550447
• Physical Description: Colorless liquid;
• Boiling Point: 181.1 °C
• Melting Point: -83.9 °C
• Flash Point: 56 °C
• Solubility: Miscible in ethanol, ethyl ether and acetone
• Density: 0.8602 @ 20 °C/4 °C
• Vapor Pressure: 1.13 [mmHg]
• Autoignition Temperature: 806 °F . /DIETHYLBENZENE/
• Viscosity: 1.24X10-2 Pa.s @ 189.26 K
• Heat of Vaporization: 5.56X10+7 J/kmol @ 189.26 K
• Surface Tension: 4.1X10-2 N/m @ 189.26 K
• Refractive Index: Index of refraction: 1.4955 @ 20 °C/D
• Synonyms: 1,3-DIETHYLBENZENE, 141-93-5, m-Diethylbenzene, Benzene, 1,3-diethyl-, Benzene, m-diethyl-, Diethylbenzene, m-, HSDB 4082, UNII-ZM2X7I1G8Y, EINECS 205-511-4, meta-Diethylbenzene, ZM2X7I1G8Y, NSC 62102, BRN 1903394, DTXSID1022003, NSC-62102, DTXCID402003, 1,3-DIETHYLBENZENE [HSDB], 4-05-00-01066 (Beilstein Handbook Reference), mDiethylbenzene, Benzene, mdiethyl, Benzene, 1,3diethyl, afzzyijiwutjfo-uhfffaoysa-n, inchi=1/c10h14/c1-3-9-6-5-7-10(4-2)8-9/h5-8h,3-4h2,1-2h, un2049, 1,3-diethyl-benzene, 1,3-Diethylbenzene–d4, Benzene,3-diethyl-, MFCD00009260, SCHEMBL166894, SCHEMBL177278, SCHEMBL297355, SCHEMBL311359, SCHEMBL838938, SCHEMBL1003365, SCHEMBL1807040, SCHEMBL2186054, SCHEMBL2186055, SCHEMBL2828471, SCHEMBL5550629, WLN: 2R C2, SCHEMBL10632492, NSC62102, EINECS 271-527-3, Tox21_303896, AKOS015964280, NCGC00356969-01, 1,3-Diethylbenzene, >=98.0% (GC), AC-18367, CAS-141-93-5, LS-13803, DB-042592, D0478, NS00007714, 1,3-Diethylbenzene 100 microg/mL in Methanol, A10815, A807834, Q24816743

Application

1,3-Diethylbenzene is widely used as a solvent and intermediate in organic synthesis, particularly in the production of specialty chemicals and polymers. Its meta-substitution pattern makes it valuable for creating asymmetrical ligands in catalysis and modifying resin properties in material science. Researchers also employ it as a precursor for synthesizing agrochemicals and active pharmaceutical ingredients (APIs) due to its controlled reactivity. In industrial settings, it serves as a high-boiling point solvent for coatings and adhesives.

Safety and Hazards

GHS Hazard Statements

• H226: Flammable liquid and vapor [Warning Flammable liquids]
• H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• 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, P264+P265, P273, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P391, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (> 99.9%)
• Asp. Tox. 1 (93.3%)
• Skin Irrit. 2 (99.2%)
• Eye Irrit. 2 (99.2%)
• STOT SE 3 (99.1%)
• Aquatic Chronic 2 (93.5%)

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