2-Methyl-1-butanol

C5H12OCAS 34713-94-588.15 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C5H12O
Molar mass
88.15 g/mol
Exact mass
88.0888 Da
Density
0.816 g/mL (at 20 °C)
Melting point
−70 °C
Boiling point
128 °C
Flash point
50 °C (open cup)
Water solubility
30 g/L (25 °C)
logP
1.02Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2,020 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
34713-94-5
SMILES
CCC(C)CO
InChIKey
QPRQEDXDYOZYLA-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Butanol, 2-methyl-
  • sec-Butylcarbinol
  • Primary active amyl alcohol
  • Active amyl alcohol
  • Active primary amyl alcohol
  • 2-Methyl-n-butanol
  • 2-Methylbutyl alcohol
  • (±)-2-Methyl-1-butanol
  • NSC 8431

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

(S)-2-Methyl-1-butanol1565-80-6Defined stereoisomer 2-Methyl-1-butanol137-32-6

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

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