1-Ethynylcyclohexanol, 99%, Thermo Scientific Chemicals
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Thermo Scientific Chemicals
1-Ethynylcyclohexanol, 99%, Thermo Scientific Chemicals
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Catalog number L12591.36
also known as L12591-36
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Chemical Identifiers
CAS78-27-3
IUPAC Name1-ethynylcyclohexan-1-ol
Molecular FormulaC8H12O
InChI KeyQYLFHLNFIHBCPR-UHFFFAOYSA-N
SMILESOC1(CCCCC1)C#C
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SpecificationsSpecification SheetSpecification Sheet
FormLow-melting solid (clear liquid as melt)
Identification (FTIR)Conforms
Appearance (Color)White to pale yellow
Assay (GC)≥98.5%
Refractive Index1.4815-1.4845 (as melt)
1-Ethynylcyclohexanol is used in organic synthesis, pharmaceuticals and agrochemicals.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
1-Ethynylcyclohexanol is used in organic synthesis, pharmaceuticals and agrochemicals.

Solubility
Soluble in water (10g/L at 20°C), diethyl ether, alcohols, esters, and ketone.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Incompatible with strong oxidizing agents.
RUO – Research Use Only

General References:

  1. P R Ortiz de Montellano.; K L Kunze.; G S Yost.; B A Mico. Self-catalyzed destruction of cytochrome P-450: covalent binding of ethynyl sterols to prosthetic heme. Proc. Natl. Acad. Sci. USA. 1979, 76 (2), 746-749.
  2. Elisabetta Gatto.; Giuliana Gervasio.; Domenica Marabello.; Enrico Sappa. Activation of alkynols on transition metal carbonyl clusters. Reactions of 1-ethynylcyclohexanol with Fe3(CO)12 and Co2(CO)8. Crystal structures of Co3(CO)9[μ3-CCH2(C6H10OH)], Fe3(CO)9(μ-CO)[μ3-η2-C[double bond, length as m-dash]C(C6H10)] and Co2Fe(CO)6(μ-CO)[μ3-η7-(C6H9)CC(H)C(H)C(H)(C6H10)]. J. Chem. Soc. 2001, 56 (9), 1485-1491.