Cas no 2396-78-3 (Methyl hex-3-enoate)

Methyl hex-3-enoate structure
Methyl hex-3-enoate structure
Product Name:Methyl hex-3-enoate
CAS No:2396-78-3
MF:C7H12O2
MW:128.168982505798
CID:42885
PubChem ID:24901669
Update Time:2025-04-18

Methyl hex-3-enoate Chemical and Physical Properties

Names and Identifiers

    • Methyl hex-3-enoate
    • Methyl trans-3-hexenoate
    • METHYL TRANS 3 HEXENOATE
    • 3-Hexenoesaeuremethylester
    • 3-Hexensaeure-methylester
    • Einecs 219-256-1
    • FEMA 3364
    • Fema no. 3364
    • hex-3-enoic acid methyl ester
    • Hex-3-ensaeure-methylester
    • METHYL 3 HEXANOATE
    • Methyl 3-hexenoate
    • Methyl 3-hexenoate,predominantly trans
    • Methyl hydrosorbate
    • METHYL T3 HEXENOATE
    • METHYL-3-HEXENOATE
    • trans-isomeres
    • 3-Hexenoic acid, methyl ester
    • MFCD00672771
    • METHYL (3E)-HEX-3-ENOATE
    • UNII-5B8F9YC2ZN
    • 3-Hexenoic acid, methyl ester, (3E)-
    • 7IP0T834PB
    • AKOS015951109
    • FEMA NO. 3364, E-
    • A878081
    • Methyl 3-hexenoate, (3E)-
    • Honeyflor
    • UNII-7IP0T834PB
    • SCHEMBL872827
    • EINECS 237-662-7
    • (E)-hex-3-enoic acid methyl ester
    • 3-Hexenoic acid, methyl ester, (E)-
    • 13894-61-6
    • 5B8F9YC2ZN
    • 2396-78-3
    • (E)-methyl hex-3-enoate
    • Methyl (E)-3-hexenoate
    • Methyl trans-3-hexenoate, >=97%, FG
    • Q27268358
    • D93382
    • DTXSID20884723
    • Methyl (3E)-3-hexenoate
    • (3E)-methyl 3-hexenoate
    • XEAIHUDTEINXFG-UHFFFAOYSA-N
    • Methyl (E)-hex-3-enoate
    • NS00085190
    • Methyl(E)-hex-3-enoate
    • SCHEMBL872828
    • DB-255154
    • MDL: MFCD00672771
    • Inchi: 1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4+
    • InChI Key: XEAIHUDTEINXFG-SNAWJCMRSA-N
    • SMILES: O(C)C(C/C=C/CC)=O

Computed Properties

  • Exact Mass: 128.08400
  • Monoisotopic Mass: 128.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 106
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.5
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 0.913?g/mL?at 25?°C(lit.)
  • Melting Point: -62.68°C (estimate)
  • Boiling Point: 169?°C(lit.)
  • Flash Point: Fahrenheit: 114.8 ° f
    Celsius: 46 ° c
  • Refractive Index: n20/D 1.4260(lit.)
  • PSA: 26.30000
  • LogP: 1.51570
  • FEMA: 3364

Methyl hex-3-enoate Security Information

  • Symbol: GHS02
  • Signal Word:Warning
  • Hazard Statement: H226
  • Hazardous Material transportation number:UN 3272
  • WGK Germany:3
  • Hazard Category Code: 10
  • Safety Instruction: S16
  • Safety Term:S16
  • Packing Group:III
  • Packing Group:III
  • Risk Phrases:R10
  • Storage Condition:Flammables area

Methyl hex-3-enoate Pricemore >>

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abcr
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