Cas no 81925-81-7 (5-Methyl-2-hepten-4-one)

5-Methyl-2-hepten-4-one structure
5-Methyl-2-hepten-4-one structure
Product Name:5-Methyl-2-hepten-4-one
CAS No:81925-81-7
MF:C8H14O
MW:126.196162700653
MDL:MFCD00792509
CID:60382
PubChem ID:24901872
Update Time:2024-03-01

5-Methyl-2-hepten-4-one Chemical and Physical Properties

Names and Identifiers

    • 5-Methylhept-2-en-4-one
    • Filbertone G
    • 5-Methyl-2-hepten-4-one
    • 5-Methyl-2-hepten-4-one, predominantly trans
    • Filbertone
    • 5-methyl-2-hepten-4-one,99%
    • 5-methyl-2-hepten-4-one 98% predominan
    • 5-Methyl-2-hepten-4-one (ACI)
    • MDL： MFCD00792509
    • Inchi： 1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3
    • InChI Key： ARJWAURHQDJJAC-UHFFFAOYSA-N
    • SMILES： O=C(C(CC)C)C=CC

Computed Properties

  • Exact Mass: 126.10400
  • Monoisotopic Mass: 126.104465
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 114
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 2.2
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: liquid
  • Density: 0.845
  • Melting Point: -66.9°C (estimate)
  • Boiling Point: 170 oC
  • Flash Point: 52 oC
  • Refractive Index: 1.444
  • PSA: 17.07000
  • LogP: 2.17770
  • FEMA: 3761 | 5-METHYL-2-HEPTEN-4-ONE
  • Solubility: Not determined

5-Methyl-2-hepten-4-one Security Information

  • Symbol: GHS02
  • Signal Word：Warning
  • Hazard Statement： H226
  • Hazardous Material transportation number：UN 1993 3/PG 1
  • WGK Germany：3
  • Hazard Category Code： R10
  • Safety Instruction： S16
  • Risk Phrases：R10
  • Packing Group：III
  • Safety Term：3
  • HazardClass：3
  • PackingGroup：III
  • TSCA：Yes

5-Methyl-2-hepten-4-one Customs Data

  • HS CODE：2914190090
  • Customs Data：

    China Customs Code:

    2914190090

    Overview:

    2914190090 Other acyclic ketones without other oxygen-containing groups.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914190090 other acyclic ketones without other oxygen function.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

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5-Methyl-2-hepten-4-one Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hexamethylphosphoramide ,  Potassium hydride
Reference
Potassium hydride-hexamethylphosphoric triamide
Gawley, Robert E.; et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, 1, 1-2

5-Methyl-2-hepten-4-one Raw materials

5-Methyl-2-hepten-4-one Preparation Products

5-Methyl-2-hepten-4-one Related Literature

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