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CAS 5435-64-3

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3,5,5-Trimethylhexanal

Description:
3,5,5-Trimethylhexanal is an organic compound classified as an aldehyde, characterized by the presence of a carbonyl group (C=O) at the end of its carbon chain. Its molecular structure consists of a six-carbon backbone with three methyl groups attached at the 3rd and 5th positions, contributing to its branched nature. This compound is typically a colorless liquid with a distinctive odor, which is common among aldehydes. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic alkyl chains. 3,5,5-Trimethylhexanal can be synthesized through various methods, including the oxidation of corresponding alcohols or through carbonylation reactions. It is used in organic synthesis and may serve as an intermediate in the production of fragrances, flavors, or other chemical compounds. As with many aldehydes, it may exhibit reactivity towards nucleophiles and can participate in various chemical reactions, including condensation and oxidation. Proper handling and storage are essential due to its potential reactivity and the need for safety precautions.
Formula:C9H18O
InChI:InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3
InChI key:InChIKey=WTPYRCJDOZVZON-UHFFFAOYSA-N
SMILES:C(CC(C)(C)C)(CC=O)C
Synonyms:
  • NSC 21482
  • Hexanal, 3,5,5-trimethyl-
  • 3,5,5-Trimethylcapronaldehyde
  • 3,5,5-Trimethylhexanal
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