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Name |
3-Hepten-2-one,6-methyl-, (3E)- |
EINECS | N/A |
CAS No. | 20859-10-3 | Density | 0.831 g/cm3 |
PSA | 17.07000 | LogP | 2.17770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H14O | Boiling Point | 179 °C at 760 mmHg |
Molecular Weight | 126.199 | Flash Point | 62.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Hepten-2-one,6-methyl-, (E)- (8CI);(3E)-6-Methylhept-3-en-2-one; |
Article Data | 14 |
The 3-Hepten-2-one,6-methyl-, (3E)-, with the CAS registry number 20859-10-3, is also known as trans-6-Methylhept-3-en-2-one. This chemical's molecular formula is C8H14O and molecular weight is 126.2. What's more, its systematic name is called (3E)-6-Methylhept-3-en-2-one.
Physical properties about 3-Hepten-2-one,6-methyl-, (3E)- are: (1) ACD/LogP: 1.97; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 1; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 17.07 Å2; (7) Index of Refraction: 1.429; (8) Molar Refractivity: 39.15 cm3; (9) Molar Volume: 151.7 cm3; (10) Surface Tension: 25.2 dyne/cm; (11) Density: 0.831 g/cm3; (12) Flash Point: 62.7 °C; (13) Enthalpy of Vaporization: 41.53 kJ/mol; (14) Boiling Point: 179 °C at 760 mmHg; (15) Vapour Pressure: 0.962 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(/C=C/CC(C)C)C
(2) InChI: InChI=1/C8H14O/c1-7(2)5-4-6-8(3)9/h4,6-7H,5H2,1-3H3/b6-4+
(3) InChIKey: RSNMTAYSENLHOW-GQCTYLIABC