(+)-2-Octanol

C₈H₁₈OCAS 6169-06-8130.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈O
Molar mass: 130.23 g/mol
Exact mass: 130.1358 Da
Density: 0.8152 g/mL (at 25 °C)
Boiling point: 176–177 °C
logP: 2.34Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation86.7% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 45 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6169-06-8

SMILES

CCCCCC[C@H](C)O

InChIKey

SJWFXCIHNDVPSH-QMMMGPOBSA-N

InChI

InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1

Weigh it out

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

Names and synonyms

12 names

2-Octanol, (2S)-
2-Octanol, (S)-(+)-
2-Octanol, (S)-
(2S)-2-Octanol
d-2-Octanol
(S)-(+)-2-Octanol
(S)-(+)-2-Octyl alcohol
(S)-1-Methylheptyl alcohol
D-(+)-Octan-2-ol
(S)-2-Octanol
(2S)-Octanol
(S)-2-Octyl alcohol

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.

(R)-2-Octanol5978-70-1Enantiomer 2-Octanol123-96-6Stereo not defined 2-Octanol4128-31-8Stereo not defined

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

Elsewhere

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