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2-Butanone,3,3-dimethyl-, oxime

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Name

2-Butanone,3,3-dimethyl-, oxime

EINECS N/A
CAS No. 2475-93-6 Density 0.868 g/cm3
PSA 32.59000 LogP 1.88260
Solubility N/A Melting Point 76-78 °C (lit.)
Formula C6H13NO Boiling Point 172.16 °C at 760 mmHg
Molecular Weight 115.175 Flash Point 82.275 °C
Transport Information N/A Appearance N/A
Safety 36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 2475-93-6 (PINACOLONE OXIME) Hazard Symbols N/A
Synonyms

Pinacoloneoxime (6CI);3,3-Dimethyl-2-butanone oxime;NSC 16121;NSC 189815;tert-Butylmethyl ketone oxime;

Article Data 1

2-Butanone,3,3-dimethyl-, oxime 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

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