3-Decanol

C₁₀H₂₂OCAS 1565-81-7158.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₂O
Molar mass: 158.28 g/mol
Exact mass: 158.1671 Da
Density: 0.826–0.832 g/mL
Boiling point: 213 °C
logP: 3.12Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 7

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from the 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

1565-81-7

SMILES

CCCCCCCC(O)CC

InChIKey

ICEQLCZWZXUUIJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

1-Ethyl-1-octanol
3-Hydroxydecane
Dl-Decan-3-ol
(±)-3-Decanol

Work with 3-Decanol

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

3-Nonanol624-51-1100 % similar 3-Octanol20296-29-195 % similar 3-Octanol589-98-095 % similar 3-Heptanol589-82-282 % similar 6-Undecanol23708-56-773 % similar 4-Nonanol5932-79-667 % similar 1,2-Octanediol1117-86-865 % similar 1,2-Decanediol1119-86-465 % similar

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

Same formula

2-Propylheptanol10042-59-8 3,7-Dimethyl-1-octanol106-21-8 (±)-2-Decanol1120-06-5 1-Decanol112-30-1 4-Methyl-5-nonanol154170-44-2 Decan-4-ol2051-31-2 3-Methyl-3-nonanol21078-72-8 4-Methyl-4-nonanol23418-38-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook