2-tert-Butylcyclohexyl Acetate (cis- and trans- mixture) TCI B6830

Chemical Identity

CAS No.: 88-41-5
PubChem: CID 62334
Formula: C12H22O2
Molecular weight: 198.31 g/mol
Purity: >98.0%(GC)
Reference databases: ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: (2-tert-butylcyclohexyl) acetate
SMILES: CC(=O)OC1CCCCC1C(C)(C)C
InChIKey: FINOAUDUYKVGDS-UHFFFAOYSA-N
MDL: MDL00027397

Rp 769.650,00

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TCI B6830 2-tert-Butylcyclohexyl Acetate (CAS 88-41-5) is supplied as a mixture of cis and trans isomers and is well known as a woody fragrance ingredient. Perfumery laboratories use it as a soft base note, while analytical groups value the isomer mixture for testing gas chromatography column resolution and stereochemical separation. The ester group additionally serves as a simple substrate for hydrolysis, transesterification, and reduction studies. Available in 25 g and 100 g packs, this liquid should be kept tightly closed, cool, dry, and away from ignition sources and strong oxidisers.

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Bhatia et al. (2008). Fragrance material review on cis-2-tert-butylcyclohexyl acetate. Food and Chemical Toxicology doi:10.1016/j.fct.2008.09.032
(1992). 2-tert-Butylcyclohexyl acetate. Food and Chemical Toxicology doi:10.1016/0278-6915(92)90215-7
White et al. (1993). Low-temperature structures of cis-4-tert-butylcyclohexyl p-nitrobenzoate (1) and trans-4-tert-butylcyclohexyl p-nitrobenzoate (2). Acta Crystallographica Section C Crystal Structure Communications doi:10.1107/s0108270192006024

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