CAS No.4111-08-4,2-hydroxy-2-methylbutanenitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4111-08-4
Name:	2-hydroxy-2-methylbutanenitrile
Article Data:	25

Formula:	C₅H₉NO
Molecular Weight:	99.1326
Synonyms:	Butyronitrile,2-hydroxy-2-methyl- (6CI,7CI,8CI);2-Butanone, cyanohydrin;2-Hydroxy-2-methylbutyronitrile;2-Methyl-2-hydroxybutyronitrile;Butanone cyanohydrin;Ethyl methyl ketonecyanohydrin;Methyl ethyl ketone cyanohydrin;NSC 44232;
EINECS:	223-892-5
Density:	0.971 g/cm³
Boiling Point:	197.3 °C at 760 mmHg
Flash Point:	73.1 °C
Appearance:	Colourless Oil
PSA:	44.02000
LogP:	0.67098

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Specification

The Butanenitrile,2-hydroxy-2-methyl-, with the CAS registry number 4111-08-4, is also known as Methyl ethyl ketone cyanohydrin. It belongs to the product category of Miscellaneous Reagents. Its EINECS registry number is 223-892-5. This chemical's molecular formula is C₅H₉NO and molecular weight is 99.13. What's more, both its IUPAC name and systematic name are the same which is called 2-Hydroxy-2-methylbutanenitrile.

Physical properties about Butanenitrile,2-hydroxy-2-methyl- are: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.39; (8)ACD/KOC (pH 7.4): 23.39; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 26.62 cm³; (15)Molar Volume: 102 cm³; (16)Surface Tension: 36.7 dyne/cm; (17)Density: 0.971 g/cm³; (18)Flash Point: 73.1 °C; (19)Enthalpy of Vaporization: 50.44 kJ/mol; (20)Boiling Point: 197.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0975 mmHg at 25 °C.

Uses of Butanenitrile,2-hydroxy-2-methyl-: it is used to produce other chemicals. For example, it can react with Diketene to get 3-Oxo-butyric acid 1-cyano-1-methyl-propyl ester. The reaction occurs with reagent 4-dimethylaminopyridine and other condition of ambient temperature. The yield is 66.8 %.

Butanenitrile,2-hydroxy-2-methyl- can react with diketene to get 3-Oxo-butyric acid 1-cyano-1-methyl-propyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC(O)(C)CC
(2) InChI: InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3
(3) InChIKey: VMEHOTODTPXCKT-UHFFFAOYSA-N