Cas no 16491-42-2 (cis-3-Hexenyl butyrate)

cis-3-Hexenyl butyrate structure
cis-3-Hexenyl butyrate structure
Product Name:cis-3-Hexenyl butyrate
CAS No:16491-42-2
MF:C10H18O2
MW:170.248723506927
CID:121686
Update Time:2023-08-02

cis-3-Hexenyl butyrate Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,1-(1-methylethyl)-2-propen-1-yl ester
    • n-Butyric acid cis-3-hexen-1-yl ester
    • 1-Isopropylallylbutyrat
    • Butyricacidcishexenylester
    • Butyric Acid cis-3-Hexenyl Ester
    • N-BUTYRIC ACID CIS-3-HEXEN-1-YL ESTER 97+%
    • cis-3-Hexenyl butyrate
    • (Z)-3-hexenyl butyrate
    • (Z)-Hex-3-en-1-yl butyrate
    • (Z)-Hex-3-enyl butyrate
    • (3Z)-3-Hexenyl butyrate
    • cis-3-Hexen-1-yl butyrate
    • Butanoic acid, 3-hexenyl ester, (Z)-
    • cis-Butyric acid, 3-hexenyl ester
    • beta,gamma-Hexenyl butyrate
    • Butyric acid, 3-hexenyl ester, (Z)-
    • 3Z-Hexenyl butyrate
    • 3Z-Hexenyl butanoate
    • cis-3-hexenyl butanoate
    • Hexenyl butanoate (3Z)
    • 3(Z)-Hexenyl butanoate
    • cis-Hex-3-enyl butyrate
    • cis-3-hexenyl n-butyrate
    • cis-Hex-3-enyl butanoate
    • (Z)-3-
    • Inchi: 1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
    • InChI Key: ZCHOPXVYTWUHDS-WAYWQWQTSA-N
    • SMILES: O(C(CCC)=O)CC/C=C\CC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 139
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Not determined
  • Density: d254 0.9
  • Refractive Index: n25D 1.4287
  • Solubility: Not determined
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