Description

3-(1,4-Cyclohexadien-1-yl)-1-propanol (CAS No. 87151-66-4) is a high-purity organic compound with the molecular formula C₉H₁₄O. This specialty chemical, also known by its IUPAC name 3-cyclohexa-1,4-dien-1-ylpropan-1-ol, features a unique cyclohexadiene ring system coupled with a propanol side chain, making it a valuable intermediate in synthetic organic chemistry. With a molecular weight of 138.21 g/mol, this compound is supplied as a clear to pale-yellow liquid under standard conditions. Its distinct structure offers versatile reactivity for functionalization, making it ideal for pharmaceutical research, material science, and fine chemical synthesis. Each batch undergoes rigorous quality control, including GC/MS and NMR analysis, to ensure ≥95% purity (typical ≥97%). Suitable for use in inert atmospheres due to potential sensitivity to oxidation. Store in a cool, dry place away from light and oxidizing agents.

Properties

• CAS Number: 87151-66-4
• Complexity: 145
• IUPAC Name: 3-cyclohexa-1,4-dien-1-ylpropan-1-ol
• InChI: InChI=1S/C9H14O/c10-8-4-7-9-5-2-1-3-6-9/h1-2,6,10H,3-5,7-8H2
• InChI Key: DJJNAQALDCPMOU-UHFFFAOYSA-N
• Exact Mass: 138.104465066
• Molecular Formula: C9H14O
• Molecular Weight: 138.21
• SMILES: C1C=CCC(=C1)CCCO
• Topological: 20.2
• Monoisotopic Mass: 138.104465066
• Synonyms: 87151-66-4, 3-(1,4-Cyclohexadien-1-yl)-1-propanol, 3-Cyclohexa-1,4-dien-1-ylpropan-1-ol, 3-(CYCLOHEXA-1,4-DIEN-1-YL)PROPAN-1-OL, 3-(1,4-Cyclohexadien-1-yl)-1-p, 3-(1,4-cyclohexadienyl)propan-1-ol, MFCD12407081, SCHEMBL379058, DJJNAQALDCPMOU-UHFFFAOYSA-N, AKOS025404422, SB84567, AS-60299, DB-240485, CS-0015961, 3-(1,4-Cyclohexadien-1-yl)-1-propanol,97%,stab.with0.1%BHT

Application

3-(1,4-Cyclohexadien-1-yl)-1-propanol serves as a key building block in the synthesis of complex organic molecules, particularly in pharmaceutical intermediates and chiral ligands. Its diene moiety enables Diels-Alder reactions, while the hydroxyl group allows for further derivatization via esterification or etherification. Researchers utilize this compound in catalytic studies and polymer modification due to its balanced hydrophobicity and reactivity. It may also find use in fragrance synthesis or as a precursor for agrochemical active ingredients.

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