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CAS 3302-10-1

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3,5,5-Trimethylhexanoic acid

Description:
3,5,5-Trimethylhexanoic acid, with the CAS number 3302-10-1, is a branched-chain fatty acid characterized by its unique structure, which includes three methyl groups attached to a hexanoic acid backbone. This compound is typically a colorless to pale yellow liquid at room temperature and has a relatively low melting point. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic nature. The presence of the carboxylic acid functional group imparts acidic properties, allowing it to participate in various chemical reactions, such as esterification and amidation. 3,5,5-Trimethylhexanoic acid is often used in the synthesis of surfactants, lubricants, and plasticizers, as well as in the production of specialty chemicals. Its branched structure contributes to its unique physical and chemical properties, making it valuable in industrial applications. Additionally, it may exhibit low toxicity, but safety data should always be consulted for handling and exposure guidelines.
Formula:C9H18O2
InChI:InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)
InChI key:InChIKey=OILUAKBAMVLXGF-UHFFFAOYSA-N
SMILES:C(C(C)(C)C)C(CC(O)=O)C
Synonyms:
  • (3R)-3,5,5-trimethylhexanoate
  • (3S)-3,5,5-trimethylhexanoate
  • 3,5,5-Trimethyl-n-hexanoic acid
  • 3,5,5-Trimethylcaproic acid
  • Hexanoic Acid, 3,5,5-Trimethyl-
  • Isononanoic acid
  • Isopelargonic acid
  • Kyowanoic N
  • NSC 52185
  • Tmha
  • See more synonyms
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