Cas no 1635-02-5 (3-Hexen-2-one,3,4-dimethyl-)
3-Hexen-2-one,3,4-dimethyl- structure
Product Name:3-Hexen-2-one,3,4-dimethyl-
3-Hexen-2-one,3,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexen-2-one,3,4-dimethyl-
- 3,4-dimethylhex-3-en-2-one
- 3,4-Dimethyl-3-hexen-2-one
- Einecs 216-656-8
- 3,4-dimethyl 3-hexen 2-one
- 3-Hexen-2-one, 3,4-dimethyl-, (E)-
- NS00048509
- 1635-02-5
- 3-Hexen-2-one, 3,4-dimethyl-
- DTXSID201030882
-
- Inchi： 1S/C8H14O/c1-5-6(2)7(3)8(4)9/h5H2,1-4H3
- InChI Key： WRHRFVOAEDXVPC-UHFFFAOYSA-N
- SMILES： O=C(C)C(C)=C(C)CC
Computed Properties
- Exact Mass: 126.10452
- 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: 2
- Complexity: 143
- 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
- Topological Polar Surface Area: 17.1
- XLogP3: 2.2
Experimental Properties
- Density: 0.8696
- Melting Point: -66.9°C (estimate)
- Boiling Point: 189.35°C (estimate)
- Flash Point: 61.4°C
- Refractive Index: 1.4418
- PSA: 17.07
3-Hexen-2-one,3,4-dimethyl- Related Literature
-
1. Reactions of tetrafluoroethene oligomers. Part 15.1 Reactions of perfluoro-3,4-dimethylhex-3-en-2-one; a highly reactive α,β-unsaturated ketonePaul L. Coe,Ian R. Owen,Stephen J. Till J. Chem. Soc. Perkin Trans. 1 2000 1529
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G. J. Kelly,F. King,M. Kett Green Chem. 2002 4 392
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3. Aldol condensation of butan-2-one and pentan-3-one on an activated alumina as monitored via in-situ carbon-13 nuclear magnetic resonance spectroscopyValerie A. Bell,Robert F. Carver,Cecil Dybowski,Harvey S. Gold J. Chem. Soc. Faraday Trans. 1 1984 80 831
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4. Reaction of tetrafluoroethene oligomers. Part 17.1 Some reactions of (E/Z)-perfluoro-2,3-dimethylpenta-1,3-dieneGraham D. Burns,Paul L. Coe,Colan L. Andrews J. Chem. Soc. Perkin Trans. 1 2001 552
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