CAS No.1517-66-4,(S)-(+)-3-METHYL-2-BUTANOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1517-66-4
Name:	(S)-(+)-3-METHYL-2-BUTANOL
Article Data:	79

Formula:	C₅H₁₂O
Molecular Weight:	88.1497
Synonyms:	(S)-(+)-Isopropyl methyl carbinol;
EINECS:	209-950-2
Density:	0.806 g/cm³
Melting Point:	-51.44°C (estimate)
Boiling Point:	113.6 °C at 760 mmHg
Flash Point:	26.7 °C
Solubility:	Soluble in alcohol. Insoluble in water.
Hazard Symbols:	R10:Flammable.; R20:Harmful by inhalation.;
Risk Codes:	10-20
Safety:	24/25
PSA:	20.23000
LogP:	1.02320

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Specification

The 2-Butanol, 3-methyl-,(2S)-, with the CAS registry number 1517-66-4, is also known as (S)-(+)-Isopropyl methyl carbinol. This chemical's molecular formula is C₅H₁₂O and molecular weight is 88.15. What's more, its systematic name is called (2S)-3-Methylbutan-2-ol.

Physical properties about this chemical are: (1)ACD/LogP: 1.04; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å²; (7)Index of Refraction: 1.402; (8)Molar Refractivity: 26.66 cm³; (9)Molar Volume: 109.3 cm³; (10)Surface Tension: 24.2 dyne/cm; (11)Density: 0.806 g/cm³; (12)Flash Point: 26.7 °C; (13)Enthalpy of Vaporization: 41.03 kJ/mol; (14)Boiling Point: 113.6 °C at 760 mmHg; (15)Vapour Pressure: 10.6 mmHg at 25 °C.

Preparation of 2-Butanol, 3-methyl-,(2S)-: this chemical can be prepared by 3-Methyl-butan-2-one.

2-Butanol, 3-methyl-,(2S)- can be prepared by 3-Methyl-butan-2-one.

This reaction needs reagent BH₃*SMe₂ and solvent Tetrahydrofuran at temperature of 110 °C. The reaction time is 10 mins.

Uses of 2-Butanol, 3-methyl-,(2S)-: it is used to produce other chemicals. For example, it is used to produce (S)-3-Methyl-2-butyl 2,4-dinitrobenzenesulfenate.

2-Butanol, 3-methyl-,(2S)- is used to produce (S)-3-Methyl-2-butyl 2,4-dinitrobenzenesulfenate.

The reaction occurs with reagent Pyridine and solvent 1,2-Dichloro-ethane. The reaction time is 30 mins. The yield is 53.6%.

When you are dealing with this chemical, you should be very careful. This chemical is flammable and harmful by inhalation. Therefore, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H](C)C(C)C
(2) InChI: InChI=1/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m0/s1
(3) InChIKey: MXLMTQWGSQIYOW-YFKPBYRVBO