Description

4-tert-Butylcyclohexylmethanol (CAS No. 13004-06-3) is a high-purity organic compound with the molecular formula C₁₁H₂₂O and IUPAC name (4-tert-butylcyclohexyl)methanol. This versatile chemical is characterized by its cyclohexyl backbone substituted with a tert-butyl group at the 4-position and a hydroxymethyl functional group. It is commonly utilized in organic synthesis, fragrance formulations, and as an intermediate in the production of specialty chemicals. Available in liquid form, this compound exhibits excellent stability under standard conditions and is suitable for a wide range of laboratory and industrial applications. Each batch is rigorously tested to ensure ≥98% purity (GC), meeting the stringent requirements of researchers and scientists.

Properties

• CAS Number: 13004-06-3
• Complexity: 126
• IUPAC Name: (4-tert-butylcyclohexyl)methanol
• InChI: InChI=1S/C11H22O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10,12H,4-8H2,1-3H3
• InChI Key: GGWBQKOXLMPNMS-UHFFFAOYSA-N
• Exact Mass: 170.167065321
• Molecular Formula: C11H22O
• Molecular Weight: 170.29
• SMILES: CC(C)(C)C1CCC(CC1)CO
• Topological: 20.2
• Monoisotopic Mass: 170.167065321
• Synonyms: 20691-53-6, 4-tert-Butylcyclohexylmethanol, EINECS 243-976-5, 243-976-5, (4-tert-butylcyclohexyl)methanol, 10601-39-5, 13004-06-3, cis-4-tert-Butylcyclohexylmethanol, trans-4-tert-Butylcyclohexylmethanol, Cyclohexanemethanol, 4-(1,1-dimethylethyl)-, (4-(tert-butyl)cyclohexyl)methanol, (Cis-4-(tert-butyl)cyclohexyl)methanol, Cyclohexanemethanol, 4-(1,1-dimethylethyl)-, trans-, EINECS 234-221-0, EINECS 235-843-5, Cyclohexanemethanol,4-(1,1-dimethylethyl)-, cis-, SCHEMBL5194752, SCHEMBL5194764, SCHEMBL7474012, SCHEMBL10888768, trans-4-t-butylcyclohexylcarbinol, DTXSID30909870, GGWBQKOXLMPNMS-AOOOYVTPSA-N, DTXSID201247499, AKOS012012106, 4-(1,1-Dimethylethyl)cyclohexanemethanol, [(1s,4s)-4-tert-butylcyclohexyl]methanol, CS-0336496, NS00050698, ((1s,4s)-4-(tert-Butyl)cyclohexyl)methanol, trans-4-(1,1-Dimethylethyl)cyclohexanemethanol, [trans-4-(1,1-dimethylethyl)cyclohexyl]methanol, A1-31698, A1-31699

Application

4-tert-Butylcyclohexylmethanol is widely used as a key intermediate in the synthesis of fragrances and flavoring agents due to its pleasant odor profile. It serves as a building block in organic chemistry for the preparation of more complex molecules, particularly in pharmaceutical and agrochemical research. Additionally, this compound finds applications in the formulation of specialty polymers and resins, where its structural properties enhance material performance.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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