2-Octanol

C8H18OCAS 123-96-6130.23 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
0.82 g/mL
Melting point
−38.6 °C
Boiling point
178.5 °C
Flash point
76 °C
Water solubility
1.12 g/L
logP
2.34Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 1,874 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
123-96-6
SMILES
CCCCCCC(C)O
InChIKey
SJWFXCIHNDVPSH-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)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

17 names · show all
  • sec-Caprylic alcohol
  • Hexylmethylcarbinol
  • Methylhexylcarbinol
  • s-Octyl alcohol
  • β-Octyl alcohol
  • 1-Methylheptyl alcohol
  • 2-Octyl alcohol
  • n-Octan-2-ol
  • 2-Hydroxyoctane
  • 2-Hydroxy-n-octane
  • 1-Methyl-1-heptanol
  • 1-Methylheptanol
  • DL-2-Octanol
  • Dl-Methylhexylcarbinol
  • (±)-2-Octanol
  • (RS)-2-Octanol
  • NSC 14759

Work with 2-Octanol

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-Octanol6169-06-8Defined stereoisomer (R)-2-Octanol5978-70-1Defined stereoisomer 2-Octanol4128-31-8

Similar compounds

(±)-2-Dodecanol10203-28-8100 % similar (±)-2-Decanol1120-06-5100 % similar (±)-2-Undecanol1653-30-1100 % similar 2-Nonanol628-99-9100 % similar 2-Heptanol543-49-795 % similar (+)-2-Heptanol6033-23-495 % similar (R)-(-)-2-Heptanol6033-24-595 % similar (R)-(-)-2-Hexanol26549-24-681 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylhexanol104-76-7 1-Octanol111-87-5 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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