3-Pentanol

C5H12OCAS 584-02-188.15 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
0.8 g/mL
Melting point
−8 °C
Boiling point
116 °C
Flash point
30 °C (closed cup)
Water solubility
55 g/L (30 °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)

Harmonised EU classification (CLP Annex VI, index 603-200-00-1[2]), via PubChem.

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
584-02-1
SMILES
CCC(O)CC
InChIKey
AQIXEPGDORPWBJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-3-5(6)4-2/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
  • Diethyl carbinol
  • 3-Pentyl alcohol
  • 1-Ethyl-1-propanol
  • sec-Amyl alcohol
  • sec-Pentanol
  • sec-Pentyl alcohol
  • NSC 8654
  • 1-Ethylpropyl alcohol
  • 3-Hydroxypentane

Work with 3-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

Similar compounds

(3R,6R)-3,6-Octanediol129619-37-073 % similar 1,2-Butanediol26171-83-565 % similar (2R)-1,2-Butanediol40348-66-165 % similar 1,2-Butanediol584-03-265 % similar (S)-Butane-1,2-diol73522-17-565 % similar 1-Amino-2-butanol13552-21-161 % similar 3-Hexanol623-37-061 % similar 5-Methyl-3-heptanol18720-65-555 % 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 (+)-2-Pentanol26184-62-3 1-Pentanol30899-19-5 (2R)-Pentan-2-ol31087-44-2 2-Methyl-1-butanol34713-94-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia