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Name |
2-Hexanone,5-methyl-3-methylene- |
EINECS | N/A |
CAS No. | 1187-87-7 | Density | 0.824 g/cm3 |
PSA | 17.07000 | LogP | 2.17770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H14O | Boiling Point | 170 °C at 760 mmHg |
Molecular Weight | 126.199 | Flash Point | 54.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Methyl-3-methylene-2-hexanone;5-Methyl-3-methylene-2-hexanone; |
Article Data | 10 |
The CAS register number of 2-Hexanone,5-methyl-3-methylene- is 1187-87-7. It also can be called as 4-Methyl-3-methylene-2-hexanone and the IUPAC name about this chemical is 5-methyl-3-methylidenehexan-2-one. The molecular formula about this chemical is C8H14O and the molecular weight is 126.1962.
Physical properties about 2-Hexanone,5-methyl-3-methylene- are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19.56; (5)ACD/BCF (pH 7.4): 19.56; (6)ACD/KOC (pH 5.5): 292.41; (7)ACD/KOC (pH 7.4): 292.41; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.419; (12)Molar Refractivity: 38.66 cm3; (13)Molar Volume: 152.9 cm3; (14)Polarizability: 15.32x10-24cm3; (15)Surface Tension: 23.8 dyne/cm; (16)Density: 0.824 g/cm3; (17)Flash Point: 54.1 °C; (18)Enthalpy of Vaporization: 40.64 kJ/mol; (19)Boiling Point: 170 °C at 760 mmHg; (20)Vapour Pressure: 1.5 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/c1-6(2)5-7(3)8(4)9/h6H,3,5H2,1-2,4H3
(3)InChIKey: AGMJVYMZEAWWND-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H14O/c1-6(2)5-7(3)8(4)9/h6H,3,5H2,1-2,4H3
(5)Std. InChIKey: AGMJVYMZEAWWND-UHFFFAOYSA-N