CAS No.2475-93-6,PINACOLONE OXIME Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2475-93-6
Name:	PINACOLONE OXIME
Article Data:	1

Formula:	C₆H₁₃NO
Molecular Weight:	115.175
Synonyms:	Pinacoloneoxime (6CI);3,3-Dimethyl-2-butanone oxime;NSC 16121;NSC 189815;tert-Butylmethyl ketone oxime;
Density:	0.868 g/cm³
Melting Point:	76-78 °C (lit.)
Boiling Point:	172.16 °C at 760 mmHg
Flash Point:	82.275 °C
Risk Codes:	20/21/22-36/37/38
Safety:	36/37/39
PSA:	32.59000
LogP:	1.88260

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Specification

The 2-Butanone, 3, 3-dimethyl-, oxime, with the CAS registry number 2475-93-6, is also known as Pinacolone oxime. This chemical's molecular formula is C₆H₁₃NO and molecular weight is 115.17. What's more, its IUPAC name is N-(3, 3-Dimethylbutan-2-ylidene)hydroxylamine.In addition, it must be stored in airtight containers and placed in a dry, cold, ventilated place. Meanwhile, it should be kept away from contact with heat and incompatible material.

Physical properties about 2-Butanone, 3, 3-dimethyl-, oxime are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 129; (8)ACD/KOC (pH 7.4): 129; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.59 Å²; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 33.891 cm³; (15)Molar Volume: 132.632 cm³; (16)Polarizability: 13.435×10^-24 cm³; (17)Surface Tension: 24.888 dyne/cm; (18)Density: 0.868 g/cm³; (19)Flash Point: 82.275 °C; (20)Enthalpy of Vaporization: 45.048 kJ/mol; (21)Boiling Point: 172.16 °C at 760 mmHg; (22)Vapour Pressure: 0.657 mmHg at 25 °C.

Preparation of 2-Butanone, 3, 3-dimethyl-, oxime: this chemical is prepared by 3, 3-Dimethyl-butan-2-one. This reaction needs reagents Acetone oxime and 92 % AcOH. The reaction time is 1 hours with reaction temperature of 120 °C. The yield is about 65 %.

The 2-Butanone, 3, 3-dimethyl-, oxime can be obtained by 3, 3-Dimethyl-butan-2-one.

Uses of 2-Butanone, 3, 3-dimethyl-, oxime: it is used to produce other chemicals. For example, it is used to produce 1, 2, 2-Trimethyl-propylamine by heating. The reaction needs reagent Lithium aluminum hydride and solvent Diethyl ether. The reaction time is 30 hours. The yield is about 64 %.

2-Butanone, 3, 3-dimethyl-, oxime can be used to produce 1, 2, 2-Trimethyl-propylamine.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) Canonical SMILES: CC(=NO)C(C)(C)C
(2) InChI: InChI=1S/C6H13NO/c1-5(7-8)6(2,3)4/h8H,1-4H3
(3) InChIKey: UNSDDJQNHCSVSW-UHFFFAOYSA-N