(+)-2-Butanol

C₄H₁₀OCAS 4221-99-274.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀O
Molar mass: 74.12 g/mol
Exact mass: 74.0732 Da
Density: 0.8 g/mL
Boiling point: 97.5–98 °C (at 745 Torr)
logP: 0.78Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H226 Flammable liquid and vaporFlammable liquids
H319 Causes serious eye irritationSerious eye damage/eye irritation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

4221-99-2

SMILES

CC[C@H](C)O

InChIKey

BTANRVKWQNVYAZ-BYPYZUCNSA-N

InChI

InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all

2-Butanol, (2S)-
sec-Butyl alcohol, (S)-(+)-
2-Butanol, (S)-
(S)-(+)-2-Butanol
(S)-2-Butanol
L-2-Butanol
d-Butanol
(S)-sec-Butanol
(S)-sec-Butyl alcohol
(2S)-2-Butanol
(S)-(+)-sec-Butanol
(1S)-1-Methylpropan-1-ol
(S)-(-)-2-Butanol

Work with (+)-2-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-Butanol14898-79-4Enantiomer 2-Butanol78-92-2Stereo not defined (+-)-2-Butanol15892-23-6Stereo not defined Aluminum tri-sec-butoxide2269-22-9Salt, stereo not defined

Similar compounds

(2R,5R)-2,5-Hexanediol17299-07-953 % similar 2,5-Hexanediol2935-44-653 % similar (2S,5S)-(+)-Hexanediol34338-96-053 % similar (2R,4R)-(-)-Pentanediol42075-32-153 % similar 2,4-Pentanediol625-69-453 % similar (2S,4S)-(+)-Pentanediol72345-23-453 % similar (+)-2-Pentanol26184-62-350 % similar (2R)-Pentan-2-ol31087-44-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methoxypropane557-17-5 2-Methoxypropane598-53-8 Diethyl ether60-29-7 1-Butanol71-36-3 tert-Butyl alcohol75-65-0 Isobutanol78-83-1

Elsewhere

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