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CAS 111-13-7

2-Octanone TCI O0038

2-Octanone TCI O0038

Chemical Identity

CAS No.
111-13-7
PubChem
CID 8093·SID 87574055
Formula
C8H16O
Molecular weight
128.21 g/mol
Purity
>98.0%(GC)
Reference databases
ChEBI·ECHA·Wikipedia
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
octan-2-one
SMILES
CCCCCCC(=O)C
InChIKey
ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
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CoA (Certificate of Analysis)

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2-Octanone, also known as methyl hexyl ketone, is an aliphatic ketone with eight carbon atoms and its carbonyl group at the second position of the chain. TCI supplies it as a non-heterocyclic building block, catalogued under product code O0038. Laboratories use simple ketones like this as starting materials for synthesis, as model substrates for studying carbonyl reactions, and as reference compounds when analysing volatile substances. Its simple structure makes it a dependable, easy-to-read compound for both teaching and research work.

As a methyl ketone, 2-Octanone has two reactive sites: a carbonyl group that nucleophiles can attack, and alpha hydrogen atoms that can form enolates. Researchers choose it because it reacts like a typical methyl ketone, with no other functional groups to interfere. It can be reduced to 2-octanol, including by asymmetric reduction to give a chiral alcohol. It can also undergo reductive amination to give amines, or take part in aldol condensation reactions. Its hexyl chain makes it lipophilic, so it dissolves readily in organic solvents and is easy to analyse by gas chromatography.

In Indonesian laboratories, 2-Octanone suits catalysis research groups that test asymmetric reduction methods, and biocatalysis laboratories working with alcohol dehydrogenase enzymes that convert ketones into chiral alcohols. Analytical laboratories can use it as a reference compound when they develop and check gas chromatography methods for volatile compounds. University organic chemistry groups can also use it as a clear, well-behaved substrate when they teach or study the basic reactivity of carbonyl compounds and enolate chemistry.

  • Asymmetric reduction studies: 2-Octanone is a standard substrate for testing chiral catalysts, because reducing it to 2-octanol shows clearly how selectively a catalyst forms one enantiomer of the alcohol.
  • Biocatalysis with alcohol dehydrogenase: its simple methyl ketone structure makes it a practical test substrate for measuring how active and selective enzymes are when they reduce ketones to chiral alcohols.
  • Reductive amination: the reactive carbonyl group lets researchers turn 2-Octanone into the matching amines, which makes it useful for developing and comparing amination methods and reagents.
  • Aldol condensation and enolate chemistry: its alpha hydrogens form enolates readily, so it works well as a model compound for studying carbon-carbon bond formation under different base and catalyst conditions.
  • Gas chromatography reference work: its volatility, lipophilic hexyl chain, and good solubility in organic solvents make it a convenient reference compound for developing and checking methods that analyse volatile compounds.

Brand TCI (product code O0038)
CAS number 111-13-7
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes several TCI pack sizes are available; please check the product listing for current options
Physical form liquid at room temperature (see the TCI certificate of analysis for full specifications)
Storage keep tightly closed in a cool, dry, well-ventilated place away from heat and ignition sources

Store 2-Octanone in its original, tightly sealed container, or in a suitable glass container with a chemically resistant cap. Keep it in a cool, dry, well-ventilated area away from direct sunlight, heat, sparks, and open flames. Because it is a volatile organic ketone, keep it away from strong oxidising agents and strong bases. Handle it in a fume hood or a well-ventilated workspace, and wear chemical-resistant gloves, safety glasses, and a laboratory coat. Do not inhale the vapour and avoid contact with skin and eyes. Before use, read the Safety Data Sheet supplied by TCI for detailed hazard information and first-aid measures, and dispose of waste according to local regulations.

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