2-Ethylhexanol

C8H18OCAS 104-76-7130.23 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C8H18O
Molar mass
130.23 g/mol
Exact mass
130.1358 Da
Density
0.8344 g/mL (at 20 °C)
Melting point
−76 °C
Boiling point
184.34 °C
Flash point
73 °C (closed cup)
Water solubility
880 mg/L (25 °C)
logP
2.20Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 3,744 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
104-76-7
SMILES
CCCCC(CC)CO
InChIKey
YIWUKEYIRIRTPP-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • 1-Hexanol, 2-ethyl-
  • 2-Ethyl-1-hexanol
  • 2-Ethylhexyl alcohol
  • Ethylhexanol
  • (±)-2-Ethyl-1-hexanol
  • 2-Ethyl-1-hexyl alcohol
  • NSC 9300
  • Conol 10WS
  • G 301
  • Guerbet C8

Work with 2-Ethylhexanol

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-Ethylhexyl phosphate12645-31-7Salt

Similar compounds

2-Ethylhexyl titanate1070-10-688 % similar 2-N-Butylpropane-1,3-diol2612-26-277 % similar 2-Hexyl-1-decanol2425-77-664 % similar Octyldodecanol5333-42-664 % similar 2-Decyltetradecanol58670-89-664 % similar Ethylhexylglycerin70445-33-963 % similar 2-Propylheptanol10042-59-862 % similar Di(2-ethylhexyl)ether10143-60-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Octanol111-87-5 2-Octanol123-96-6 Dibutyl ether142-96-1 5-Methyl-3-heptanol18720-65-5 2,5-Dimethyl-3-hexanol19550-07-3 4-Ethyl-3-hexanol19780-44-0 3-Octanol20296-29-1 Isooctan-1-ol26952-21-6

Elsewhere

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