|
|
| | (S)-(-)-2-Methyl-1-butanol Basic information |
| | (S)-(-)-2-Methyl-1-butanol Chemical Properties |
| Melting point | -70 °C | | alpha | -5.8 º (neat 23 ºC) | | Boiling point | 136-138 °C(lit.) | | density | 0.811 g/mL at 25 °C(lit.) | | vapor density | 3 (vs air) | | vapor pressure | 1 mm Hg ( 13.6 °C) | | refractive index | n20/D 1.409(lit.) | | Fp | 120 °F | | storage temp. | 2-8°C | | solubility | soluble in Chloroform, Ethanol | | pka | 15.24±0.10(Predicted) | | form | clear liquid | | color | Colorless to Almost colorless | | Odor | ethereal fresh | | Optical Rotation | [α]23/D 5.8°, neat | | Water Solubility | 36 g/L (30 ºC) | | Merck | 14,6030 | | BRN | 1718809 | | Henry's Law Constant | 3.9×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008) | | Dielectric constant | 15.8（20℃） | | InChI | 1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1 | | InChIKey | QPRQEDXDYOZYLA-YFKPBYRVSA-N | | SMILES | CC[C@H](C)CO | | LogP | 1.223 (est) | | CAS DataBase Reference | 1565-80-6(CAS DataBase Reference) | | NIST Chemistry Reference | 1-Butanol, 2-methyl-, (S)-(1565-80-6) | | EPA Substance Registry System | 1-Butanol, 2-methyl-, (2S)- (1565-80-6) |
| Hazard Codes | Xn | | Risk Statements | 10-20-37-66-2017/10/20 | | Safety Statements | 46-24/25 | | RIDADR | UN 1105 3/PG 3 | | WGK Germany | 1 | | RTECS | SB9800000 | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29051990 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Acute Tox. 4 Inhalation
Flam. Liq. 3
STOT SE 3 |
| | (S)-(-)-2-Methyl-1-butanol Usage And Synthesis |
| Chemical Properties | clear colourless liquid | | Uses | (S)-(-)-2-Methylbutanol can be used as a reactant to prepare:
- Methylbutyl-2-(3-thienyl)acetate (MBTA) by esterification reaction with 3-thiophene acetic acid in the presence of an acid catalyst.
- (2S)-2-Methyl-1-butanesulfenyl chloride by reacting with thioacetic acid using Mitsunobu reaction conditions.
- (+)-Violapyrone C and (-)-myxalamide A.
| | Uses | (S)-()-2-Methylbutanol can be used to prepare:
- (S)-()-2-Methyl-1-butyloxy carbonyl amino hexyl isocyanate (MBI), which is used to synthesize isocyanate copolymers.
- Chiral alkoxynaphathoic acid derivatives having liquid crystalline properties.
- 3,4-Bis[(S)-2-methylbutoxy]thiophene, a key intermediate for the synthesis of polythiophenes.
| | Definition | ChEBI: The (S)-enantiomer of 2-methylbutan-1-ol. | | General Description | rest mainly 3-methyl-1-butanol | | Purification Methods | Reflux the butanol with CaO, distil, reflux with magnesium and again fractionally distil it. A small sample of highly purified material is obtained by fractional crystallisation after conversion into a suitable ester such as the trinitrophthalate or the 3-nitrophthalate. The latter is converted to the cinchonine salt in acetone and recrystallised from CHCl3 by adding pentane. The salt is saponified, extracted with ether, and fractionally distilled. [Terry et al. J Chem Eng Data 5 403 1960, Beilstein 1 IV 1666.] |
| | (S)-(-)-2-Methyl-1-butanol Preparation Products And Raw materials |
|