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CAS 626-33-5

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2-Methyl-4-heptanone

Description:
2-Methyl-4-heptanone, with the CAS number 626-33-5, is a ketone characterized by its molecular formula C8H16O. This compound features a branched structure, with a methyl group located at the second carbon and a ketone functional group at the fourth carbon of a heptane chain. It is a colorless liquid at room temperature and possesses a distinctive odor, often described as fruity or similar to that of certain solvents. 2-Methyl-4-heptanone is soluble in organic solvents but has limited solubility in water due to its hydrophobic nature. It is primarily used as a solvent and in the synthesis of various organic compounds. Additionally, it can be found in some flavoring and fragrance applications due to its pleasant aroma. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes and can be harmful if inhaled or ingested. Proper safety measures, including the use of personal protective equipment, are recommended when working with this substance.
Formula:C8H16O
InChI:InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChI key:InChIKey=AKRJXOYALOGLHQ-UHFFFAOYSA-N
SMILES:C(C(CCC)=O)C(C)C
Synonyms:
  • 2-Methyl-4-heptanone
  • 4-Heptanone, 2-methyl-
  • 6-Methyl-4-heptanone
  • Isobutyl Propyl Ketone
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