Description

1,3-Cyclohexanediol (CAS: 504-01-8) is a versatile cyclic diol with the molecular formula C₆H₁₂O₂, widely used in organic synthesis, pharmaceuticals, and material science. This compound exists in both cis and trans isomeric forms, offering flexibility in stereochemical applications. With a purity of ≥98%, it serves as a key intermediate for synthesizing polymers, resins, and specialty chemicals. Its stable cyclohexane backbone and dual hydroxyl groups make it ideal for cross-linking reactions, chiral derivatization, and as a building block for fragrances or agrochemicals. Packed under inert conditions to ensure stability, this high-quality reagent is suitable for research, industrial R&D, and advanced manufacturing processes.

Properties

• CAS Number: 504-01-8
• Complexity: 64.9
• IUPAC Name: cyclohexane-1,3-diol
• InChI: InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2
• InChI Key: RLMGYIOTPQVQJR-UHFFFAOYSA-N
• Exact Mass: 116.083729621
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16
• SMILES: C1CC(CC(C1)O)O
• Topological: 40.5
• Monoisotopic Mass: 116.083729621
• Synonyms: 1,3-CYCLOHEXANEDIOL, Cyclohexane-1,3-diol, EINECS 207-979-5, NSC 30235, 1,3-Cyclohexanediol,c&t, 1,3-Cyclohexanediol cis+trans, 1,3-Cyclohexanediol cis-trans, AI3-06234, DTXSID60964654, DTXCID301392346, 207-979-5, rlmgyiotpqvqjr-uhfffaoysa-n, 504-01-8, Resorcitol, 1,3-Dihydroxycyclohexane, 1,3-Benzenediol, hexahydro-, MFCD00039458, cis-1,3-cyclohexandiol, trans-cyclohexane-1,3-diol, trans-1,3-Cyclohexanol, SCHEMBL62366, trans-1,3-Dihydroxycyclohexane, SCHEMBL1144089, SCHEMBL1144298, SCHEMBL2570021, SCHEMBL4363250, SCHEMBL4845066, SCHEMBL6433259, 140460-27-1, BCP30890, NSC30235, NSC-30235, cis-1,3-Cyclohexanediol, >/=98%, AKOS005258329, AS-57120, SY007586, DB-051766, C2323, CS-0135350, NS00043323, ST50409808, 1,3-Cyclohexanediol Mixture of cis and trans, EN300-20001, F17088, 1,3-Benzenediol, hexahydro-; Cyclohexane-1,3-diol; Hexahydroresorcinol; 1,3-Dihydroxycyclohexane;Resorcitol

1,3-Cyclohexanediol is employed as a precursor in polymer chemistry for producing polyesters and polyurethanes. It acts as a chiral auxiliary in asymmetric synthesis and is used to modify the properties of resins and coatings. Researchers also utilize it in pharmaceutical intermediates and specialty chemical formulations.

Safety and Hazards

GHS Hazard Statements

• H302+H312 (72.2%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
• H302 (72.2%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (72.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (72.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (27.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H412 (72.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (72.2%)
• Acute Tox. 4 (72.2%)
• Skin Irrit. 2 (72.2%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (27.8%)
• Aquatic Chronic 3 (72.2%)

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