CAS No.5577-48-0,2-HEXANONE OXIME Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5577-48-0
Name:	2-HEXANONE OXIME
Article Data:	8

Formula:	C₆H₁₃NO
Molecular Weight:	115.175
Synonyms:	Butylmethyl ketone oxime;NSC 73136;
EINECS:	226-953-4
Density:	0.89 g/cm³
Boiling Point:	187.5 °C at 760 mmHg
Flash Point:	94 °C
PSA:	32.59000
LogP:	2.02670

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Specification

The 2-Hexanone, oxime, with CAS registry number 5577-48-0, has the systematic name of (2Z)-hexan-2-one oxime. Besides this, it is also called Methyl n-butyl ketoxime. And the chemical formula of this chemical is C₆H₁₃NO. What's more, its EINECS is 226-953-4.

Physical properties of 2-Hexanone, oxime: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.82; (6)ACD/BCF (pH 7.4): 11.82; (7)ACD/KOC (pH 5.5): 203.91; (8)ACD/KOC (pH 7.4): 203.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.59 Å²; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 33.72 cm³; (15)Molar Volume: 129 cm³; (16)Polarizability: 13.37×10^-24cm³; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 0.89 g/cm³; (19)Flash Point: 94 °C; (20)Enthalpy of Vaporization: 46.71 kJ/mol; (21)Boiling Point: 187.5 °C at 760 mmHg; (22)Vapour Pressure: 0.282 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(/O)=C(\C)CCCC
(2)InChI: InChI=1/C6H13NO/c1-3-4-5-6(2)7-8/h8H,3-5H2,1-2H3/b7-6-
(3)InChIKey: WHXCGIRATPOBAY-SREVYHEPBE
(4)Std. InChI: InChI=1S/C6H13NO/c1-3-4-5-6(2)7-8/h8H,3-5H2,1-2H3/b7-6-
(5)Std. InChIKey: WHXCGIRATPOBAY-SREVYHEPSA-N