Description

1,3-Cyclohexadiene (CAS No. 592-57-4) is a highly versatile cyclic diene with the molecular formula C₆H₈. This colorless to pale yellow liquid is a valuable intermediate in organic synthesis, particularly in Diels-Alder reactions, due to its conjugated double-bond system. With a purity of ≥98%, our product is rigorously tested via GC analysis to ensure consistency for research and industrial applications. It is stored under inert gas to prevent polymerization and degradation, ensuring optimal shelf life. Ideal for use in pharmaceuticals, agrochemicals, and materials science, 1,3-Cyclohexadiene is supplied in amber glass bottles or sealed ampoules to protect against light and moisture. Handle with care—flammable and reactive under standard conditions.

Properties

• CAS Number: 592-57-4
• Complexity: 66
• IUPAC Name: cyclohexa-1,3-diene
• InChI: InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
• InChI Key: MGNZXYYWBUKAII-UHFFFAOYSA-N
• Exact Mass: 80.062600255
• Molecular Formula: C6H8
• Molecular Weight: 80.13
• SMILES: C1CC=CC=C1
• Monoisotopic Mass: 80.062600255
• Physical Description: Colorless liquid; Unpleasant odor;
• Boiling Point: 81 °C
• Melting Point: -89 °C
• Flash Point: 26 °C c.c.
• Solubility: Solubility in water: none
• Density: Relative density : 0.84
• Vapor Density: Relative vapor density : 2.8
• Vapor Pressure: 97.3 [mmHg]
• Synonyms: 1,3-CYCLOHEXADIENE, Cyclohexa-1,3-diene, 1,2-dihydrobenzene, Cyclohexadiene-1,3, UNII-JV5W0EG5BP, JV5W0EG5BP, EINECS 209-764-1, BENZENE, DIHYDRO-, CHEBI:37610, DTXSID30862259, DTXCID00811052, inchi=1/c6h8/c1-2-4-6-5-3-1/h1-4h,5-6h, mgnzxyywbukaii-uhfffaoysa-n, un1993, 592-57-4, CYCLOHEXADIENE, MFCD00001532, 29797-09-9, Dihydro-benzene; Cyclohexa-1,3-diene, 1165952-91-9, cyclohexa-1, 1,3 cyclohexadiene, 2,4-cyclohexadiene, EINECS 249-853-2, 1,-3-cyclohexadiene, 1,3-cyclo hexadiene, 1,3-cyclohexanediene, SCHEMBL4967, SCHEMBL18762, SCHEMBL21859, SCHEMBL194088, SCHEMBL227555, SCHEMBL544532, SCHEMBL841491, SCHEMBL841817, SCHEMBL845911, UNII-7Y6A5B2T62, SCHEMBL1298648, SCHEMBL1510112, SCHEMBL2718753, SCHEMBL2720207, SCHEMBL5245332, SCHEMBL5501381, SCHEMBL5682476, SCHEMBL8005441, SCHEMBL9833781, SCHEMBL11044374, SCHEMBL11044377, SCHEMBL16238467, 7Y6A5B2T62, STR07880, STL281378, AKOS009119921, 1,3-Cyclohexadiene (Stabilized with BHT), NS00042655, EN300-27318, F17012, A832226, Q387320, 1,3-Cyclohexadiene, contains 0.05% BHT as inhibitor, 97%

Application

1,3-Cyclohexadiene is widely employed as a diene component in Diels-Alder reactions to synthesize complex cyclic compounds. It serves as a precursor for fragrances, pharmaceuticals, and specialty polymers. Researchers also utilize it in catalytic hydrogenation studies and as a model substrate in mechanistic organic chemistry investigations.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H335 (14.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (100%)
• STOT SE 3 (14.6%)

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