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CAS No.: | 1572-93-6 |
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Name: | (R)-(-)-3-METHYL-2-BUTANOL |
Article Data: | 91 |
Molecular Structure: | |
Formula: | C5H12O |
Molecular Weight: | 88.1497 |
Synonyms: | 2-Butanol,3-methyl-, (R)-;2-Butanol, 3-methyl-, (R)-(-)- (8CI);(-)-3-Methyl-2-butanol;(2R)-3-Methylbutan-2-ol;(R)-3-Methyl-2-butanol; |
Density: | 0.806 g/cm3 |
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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The 2-Butanol, 3-methyl-,(2R)- is an organic compound with the formula C5H12O. The systematic name of this chemical is (2R)-3-Methylbutan-2-ol. With the CAS registry number 1572-93-6, it is also named as 3-Methylbutan-2-ol. Besides, it should be stored in a cool, sealed, dry place.
Physical properties about 2-Butanol, 3-methyl-,(2R)- are: (1)ACD/LogP: 1.04; (2)ACD/LogD (pH 5.5): 1.04; (3)ACD/LogD (pH 7.4): 1.04; (4)ACD/BCF (pH 5.5): 3.63; (5)ACD/BCF (pH 7.4): 3.63; (6)ACD/KOC (pH 5.5): 87.5; (7)ACD/KOC (pH 7.4): 87.5; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.402; (13)Molar Refractivity: 26.66 cm3; (14)Molar Volume: 109.3 cm3; (15)Polarizability: 10.57×10-24 cm3; (16)Surface Tension: 24.2 dyne/cm; (17)Density: 0.806 g/cm3; (18)Flash Point: 26.7 °C; (19)Enthalpy of Vaporization: 41.03 kJ/mol; (20)Boiling Point: 113.6 °C at 760 mmHg; (21)Vapour Pressure: 10.6 mmHg at 25 °C.
Preparation: this chemical can be prepared by 3-Methyl-butan-2-one. This reaction will need reagents borane-tetrahydrofuran complex; (R)-MeCBS-oxazaborolidine and solvents tetrahydrofuran; toluene. The reaction temperature of 20 °C.
Uses of 2-Butanol, 3-methyl-,(2R)-: it can be used to produce 3-Methyl-butan-2-one at temperature of 60 °C. It will need reagent Cr2O3-H2SO4.
When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation. When you are using it, avoid contact 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-/m1/s1
(3)InChIKey: MXLMTQWGSQIYOW-RXMQYKEDBG
(4)Std. InChI: InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1
(5)Std. InChIKey: MXLMTQWGSQIYOW-RXMQYKEDSA-N