chempirical

1-Heptanol

C7H16OCAS 111-70-6116.20 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C7H16O
Molar mass
116.20 g/mol
Exact mass
116.1201 Da
Density
0.8219 g/mL (at 20 °C)
Melting point
−34.6 °C
Boiling point
175.8 °C
Flash point
70 °C (closed cup)
Water solubility
1 g/L (18 °C)
logP
1.95Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,619 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
111-70-6
SMILES
CCCCCCCO
InChIKey
BBMCTIGTTCKYKF-UHFFFAOYSA-N
InChI
InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Heptyl alcohol
  • Enanthic alcohol
  • n-Heptanol
  • 1-Hydroxyheptane
  • n-Heptyl alcohol
  • Gentanol
  • n-Heptan-1-ol
  • NSC 3703
  • Heptanol

Reactions

Work with 1-Heptanol

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

1-Hexanol111-27-3100 % similar 1-Octanol111-87-5100 % similar 1-Decanol112-30-1100 % similar Undecanol112-42-5100 % similar Dodecanol112-53-8100 % similar 1-Tridecanol112-70-9100 % similar 1-Tetradecanol112-72-1100 % similar Stearyl alcohol112-92-5100 % similar

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

Same formula

2,2-Dimethyl-3-pentanol3970-62-5 Hexyl methyl ether4747-07-3 2-Heptanol543-49-7 4-Heptanol589-55-9 3-Heptanol589-82-2 3-Ethyl-3-pentanol597-49-9 2,4-Dimethyl-3-pentanol600-36-2 (+)-2-Heptanol6033-23-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia