Description

4-tert-Butylcyclohexanone (CAS No. 98-53-3) is a high-purity cyclic ketone with the molecular formula C₁₀H₁₈O. This compound, also known by its IUPAC name 4-tert-butylcyclohexan-1-one, features a cyclohexanone backbone substituted with a tert-butyl group at the 4-position. It is a versatile intermediate widely used in organic synthesis, fragrance formulation, and pharmaceutical research. Our product is rigorously tested to ensure superior quality, with consistent purity (>98%) and low levels of impurities, making it ideal for demanding laboratory and industrial applications. Available in various packaging options, including glass bottles and bulk quantities, to suit your research or production needs.

Properties

• CAS Number: 98-53-3
• Complexity: 143
• IUPAC Name: 4-tert-butylcyclohexanone
• InChI: InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
• InChI Key: YKFKEYKJGVSEIX-UHFFFAOYSA-N
• Exact Mass: 154.135765193
• Molecular Formula: C10H18O
• Molecular Weight: 154.25
• SMILES: CC(C)(C)C1CCC(=O)CC1
• Topological: 17.1
• Monoisotopic Mass: 154.135765193
• Synonyms: 4-tert-Butylcyclohexanone, p-tert-Butylcyclohexanone, Cyclohexanone, 4-(1,1-dimethylethyl)-, Cyclohexanone, p-tert-butyl-, Cyclohexanone, 4-tert-butyl-, 4-t-Butylcyclohexanone, NSC 73717, .gamma.-tert-Butylcyclohexanone, EINECS 202-678-5, BRN 0507309, DTXSID7044394, UNII-4M45G11K23, AI3-04092, 4-(1,1-dimethylethyl)cyclohexanone, NSC-73717, 4M45G11K23, DTXCID5024394, 4-TERT.BUTYL-CYCLOHEXANONE, EC 202-678-5, 4-07-00-00082 (Beilstein Handbook Reference), gamma-tert-Butylcyclohexanone, Cyclohexanone, 4-tert-butyl-(8CI), 202-678-5, inchi=1/c10h18o/c1-10(2,3)8-4-6-9(11)7-5-8/h8h,4-7h2,1-3h, ykfkeykjgvseix-uhfffaoysa-n, 98-53-3, 4-(tert-Butyl)cyclohexanone, 4-tert-butylcyclohexan-1-one, 4-(tert-butyl)cyclohexan-1-one, C 64, MFCD00001642, Spiroxamine-ketone, 4-tertbutylcyclohexanone, 4-t-butyl cyclohexanone, 4-terbutyl-cyclohexanone, 4-tert butylcyclohexanone, 4tert-butyl cyclohexanone, 4-tert-butyl cyclohexanone, 4-tert-butyl-cyclohexanone, 4-|tert|-Butylcyclohexanone, SCHEMBL41691, 4-tert-butyl-cyclohexan-1-one, SCHEMBL4397500, CHEMBL3188541, L6VTJ DX1&1&1, 4-tert-Butylcyclohexanone, 99%, CHEBI:188365, WLN: L6VTJ DX1&1&1, BCP22018, NSC73717, Tox21_302032, SBB007656, STK530988, 4-(1,1-dimethylethyl)-cyclohexanone, AKOS000119562, CS-W010932, FS-4254, CAS-98-53-3, NCGC00255976-01, SY033180, B1074, NS00003179, ST50211277, CYCLOHEXANONE,4-(1,1-DIMETHYLETHYL)-, EN300-20049, Q27260077, F0001-2317, Z104476590, 4-(1,1-Dimethylethyl)cyclohexanone; C 64; NSC 73717; p-tert-Butylcyclohexanone; gamma-tert-Butylcyclohexanone;

Application

4-tert-Butylcyclohexanone is commonly employed as a key intermediate in the synthesis of fragrances, particularly musk and woody scent compounds. It serves as a precursor in the production of chiral ligands and catalysts for asymmetric synthesis. Additionally, this compound is utilized in pharmaceutical research for the development of bioactive molecules and in material science for polymer modification. Its stability and reactivity make it a valuable building block in organic chemistry.

Safety and Hazards

GHS Hazard Statements

• H302 (85.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H411 (79.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P270, P273, P301+P317, P330, P391, and P501

Hazard Classes and Categories

• Acute Tox. 4 (85.9%)
• Aquatic Chronic 2 (79.4%)

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