(S)-2-Methyl-1-butanol

C₅H₁₂OCAS 1565-80-688.15 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₅H₁₂O
Molar mass: 88.15 g/mol
Exact mass: 88.0888 Da
Density: 0.8279 g/mL (at 30 °C)
Melting point: 130 °C
Boiling point: 103–104 °C (at 21 Torr)
logP: 1.02Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H226 Flammable liquid and vapor81.6% of notifiers
H315 Causes skin irritation19.1% of notifiers
H332 Harmful if inhaled72.8% of notifiers
H335 May cause respiratory irritation41.9% of notifiers

Aggregated from 136 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1565-80-6

SMILES

CC[C@H](C)CO

InChIKey

QPRQEDXDYOZYLA-YFKPBYRVSA-N

InChI

InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names

1-Butanol, 2-methyl-, (2S)-
1-Butanol, 2-methyl-, (S)-
1-Butanol, 2-methyl-, l-
1-Butanol, 2-methyl-, (S)-(-)-
(2S)-2-Methyl-1-butanol
(S)-(-)-2-Methyl-1-butanol
(-)-2-Methyl-1-butanol
(-)-(S)-2-Methyl-1-butanol
D-(-)-2-Methyl-1-butanol
(S)-(-)-2-Methylbutanol
(2S)-2-Methylbutan-1-ol
(-)-2-Methylbutanol

Work with (S)-2-Methyl-1-butanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Methyl-1-butanol137-32-6Stereo not defined 2-Methyl-1-butanol34713-94-5Stereo not defined

Similar compounds

2-Methyl-1,3-propanediol2163-42-065 % similar 3-Methylpentane96-14-059 % similar 2-Methyl-1-pentanol105-30-655 % similar 3-Methyl-1-pentanol589-35-555 % similar 3,5-Dimethylheptane926-82-953 % similar (2R)-2-Methyl-1,4-butanediol22644-28-650 % similar 3-Bromo-2-methylpropan-1-ol40145-08-250 % similar (S)-2-Methyl-1,4-butanediol70423-38-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isoamyl alcohol123-51-3 Methyl tert-butyl ether1634-04-4 (+)-2-Pentanol26184-62-3 1-Pentanol30899-19-5 (2R)-Pentan-2-ol31087-44-2 3-Pentanol584-02-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook