2-Pentanol

C5H12OCAS 6032-29-788.15 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
0.814 g/mL (at 15 °C)
Melting point
−73 °C
Boiling point
119.3 °C
Flash point
35 °C
Water solubility
166 g/L (20 °C)
logP
1.17Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 1,753 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
6032-29-7
SMILES
CCCC(C)O
InChIKey
JYVLIDXNZAXMDK-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-3-4-5(2)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

10 names
  • sec-Amyl alcohol
  • Methylpropylcarbinol
  • 2-Pentyl alcohol
  • 1-Methyl-1-butanol
  • sec-Pentanol
  • 1-Methylbutanol
  • sec-Pentyl alcohol
  • 2-Hydroxypentane
  • DL-2-Pentanol
  • (±)-2-Pentanol

Work with 2-Pentanol

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.

(+)-2-Pentanol26184-62-3Defined stereoisomer (2R)-Pentan-2-ol31087-44-2Defined stereoisomer

Similar compounds

(R)-(-)-2-Hexanol26549-24-670 % similar (S)-(+)-2-Hexanol52019-78-070 % similar 2-Hexanol626-93-770 % similar 2-Heptanol543-49-767 % similar (+)-2-Heptanol6033-23-467 % similar (R)-(-)-2-Heptanol6033-24-567 % similar (2R,5R)-2,5-Hexanediol17299-07-965 % similar 2,5-Hexanediol2935-44-665 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isoamyl alcohol123-51-3 2-Methyl-1-butanol137-32-6 (S)-2-Methyl-1-butanol1565-80-6 Methyl tert-butyl ether1634-04-4 1-Pentanol30899-19-5 2-Methyl-1-butanol34713-94-5

Elsewhere

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