3-Hepten-2-one,6-methyl-, (3E)- supplier

Name
6 METHYL 3 HEPTEN 2 ONE
EINECS
CAS No. 20859-10-3
Article Data14
CAS DataBase
Density 0.831 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O
Boiling Point 179 °C at 760 mmHg
Molecular Weight 126.199
Flash Point 62.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Hepten-2-one,6-methyl-, (E)- (8CI);(3E)-6-Methylhept-3-en-2-one;
PSA 17.07000
LogP 2.17770

3-Hepten-2-one,6-methyl-, (3E)- Specification

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

Product Name

6 METHYL 3 HEPTEN 2 ONE

3-Hepten-2-one,6-methyl-, (3E)- Specification

Related Products

Hot Products