1-Octanol

C₈H₁₈OCAS 111-87-5130.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈O
Molar mass: 130.23 g/mol
Exact mass: 130.1358 Da
Density: 0.827 g/mL (at 20 °C)
Melting point: −17–16 °C
Boiling point: 194–195 °C
Flash point: 81 °C (closed cup)
Water solubility: 540 mg/L (25 °C)
logP: 2.34Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 6

Hazards

Warning

H302+H312 Harmful if swallowed or in contact with skin14.7% of notifiers
H302 Harmful if swallowed15.7% of notifiers
H312 Harmful in contact with skin15.7% of notifiers
H315 Causes skin irritation23.7% of notifiers
H319 Causes serious eye irritation98.8% of notifiers
H412 Harmful to aquatic life with long lasting effects15.1% of notifiers

Aggregated from 3,216 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

111-87-5

SMILES

CCCCCCCCO

InChIKey

KBPLFHHGFOOTCA-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

Weigh it out

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

Names and synonyms

18 names · show all

Alfol 8
Octanol
Octilin
Octyl alcohol
Caprylic alcohol
Heptyl carbinol
n-Octanol
n-Octyl alcohol
Sipol L8
n-Octan-1-ol
1-Hydroxyoctane
CO 898
CO 898 (solvent)
NSC 9823
Lorol C 8-98
Kalcohl 0898
Kalcol 0898
Caprylyl alcohol

Work with 1-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

Similar compounds

1-Hexanol111-27-3100 % similar 1-Heptanol111-70-6100 % 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-Ethylhexanol104-76-7 2-Octanol123-96-6 Dibutyl ether142-96-1 5-Methyl-3-heptanol18720-65-5 2,5-Dimethyl-3-hexanol19550-07-3 3-Octanol20296-29-1 2,3,4-Trimethyl-3-pentanol3054-92-0 2,5-Dimethyl-2-hexanol3730-60-7

Elsewhere

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