Decan-4-ol

C₁₀H₂₂OCAS 2051-31-2158.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₂O
Molar mass: 158.28 g/mol
Exact mass: 158.1671 Da
Density: 0.8244 g/mL (at 21 °C)
Melting point: −11 °C
Boiling point: 210.5 °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
H412 Harmful to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P501

Identifiers

CAS number

2051-31-2

SMILES

CCCCCCC(O)CCC

InChIKey

DTDMYWXTWWFLGJ-UHFFFAOYSA-N

InChI

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

5 names

4-Decanol
1-Propylheptyl alcohol
Dl-Decan-4-ol
(±)-4-Decanol
NSC 2637

Work with Decan-4-ol

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

4-Nonanol5932-79-695 % similar 6-Undecanol23708-56-785 % similar 5-Nonanol623-93-871 % similar 3-Nonanol624-51-171 % similar 4-Heptanol589-55-970 % similar 1,2-Octanediol1117-86-868 % similar 1,2-Decanediol1119-86-468 % similar 1,2-Dodecanediol1119-87-568 % 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 3-Decanol1565-81-7 3-Methyl-3-nonanol21078-72-8 4-Methyl-4-nonanol23418-38-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook