65980

(S)-(−)-2-Methylbutanol

≥95.0% (sum of enantiomers, GC)

• Synonym(s): (S)-(−)-2-Methyl-1-butanol, Active amyl alcohol
• Empirical Formula (Hill Notation): C₅H₁₂O
• CAS Number: 1565-80-6
• Molecular Weight: 88.15
• Beilstein/REAXYS Number: 1718809
• EC Number: 216-366-1
• MDL number: MFCD00064299
• UNSPSC Code: 12352001
• PubChem Substance ID: 57652046
• NACRES: NA.22

Properties

• assay: ≥95.0% (sum of enantiomers, GC)
• optical activity: [α]20/D −6.3±0.5°, c = 10% in ethanol
• refractive index: n/D 1.41; n20/D 1.411
• bp: 129-131 °C (lit.)
• density: 0.819 g/mL at 20 °C (lit.); 0.811 g/mL at 25 °C
• functional group: hydroxyl
• storage temp.: 2-8°C
• SMILES string: CC[C@H](C)CO
• InChI: 1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
• InChI key: QPRQEDXDYOZYLA-YFKPBYRVSA-N

Description

General description

rest mainly 3-methyl-1-butanol

Application

(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.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H332,H335
• pcodes: P210 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Inhalation - Flam. Liq. 3 - STOT SE 3
• target_organs: Respiratory system
• supp_hazards: EUH066
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 108.5 °F
• flash_point_c: 42.5 °C
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter