CAS No.1187-87-7,5-Methyl-3-methylene-2-hexanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1187-87-7
Name:	5-Methyl-3-methylene-2-hexanone
Article Data:	10
Cas Database

Formula:	C₈H₁₄O
Molecular Weight:	126.199
Synonyms:	4-Methyl-3-methylene-2-hexanone;5-Methyl-3-methylene-2-hexanone;
Density:	0.824 g/cm³
Boiling Point:	170 °C at 760 mmHg
Flash Point:	54.1 °C
PSA:	17.07000
LogP:	2.17770

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Specification

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