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CAS 53398-83-7

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trans-2-Hexenyl butyrate

Description:
Trans-2-Hexenyl butyrate is an organic compound classified as an ester, formed from the reaction of trans-2-hexenoic acid and butanol. It is characterized by its fruity, floral aroma, making it a compound of interest in the flavor and fragrance industry. The molecular structure features a hexene chain with a double bond in the trans configuration, which influences its physical properties and reactivity. Typically, trans-2-Hexenyl butyrate is a colorless to pale yellow liquid, exhibiting low solubility in water but good solubility in organic solvents. Its boiling point and density are consistent with those of similar esters, and it is generally stable under normal conditions. This compound is often used as a flavoring agent in food products and as a fragrance component in cosmetics and perfumes. Additionally, it may have applications in the synthesis of other chemical compounds due to its reactive double bond. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.
Formula:C10H18O2
InChI:InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChI key:InChIKey=PCGACKLJNBBQGM-VOTSOKGWSA-N
SMILES:C(OC/C=C/CCC)(CCC)=O
Synonyms:
  • (2E)-hex-2-en-1-yl butanoate
  • (2Z)-hex-2-en-1-yl butanoate
  • (E)-2-Hexenyl butanoate
  • (E)-2-Hexenyl butyrate
  • (E)-Hex-2-en-1-yl butyrate
  • Butanoic acid, (2E)-2-hexen-1-yl ester
  • Butanoic acid, (2E)-2-hexenyl ester
  • Butanoic acid, 2-hexenyl ester, (E)-
  • Hex-2-En-1-Yl Butanoate
  • n-Butyric acid trans-2-hexen-1-yl ester
  • See more synonyms
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