5-Nonanol

C₉H₂₀OCAS 623-93-8144.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₀O
Molar mass: 144.26 g/mol
Exact mass: 144.1514 Da
Density: 0.823 g/mL (at 18 °C)
Melting point: 51–52 °C
Boiling point: 193 °C
logP: 2.73Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

623-93-8

SMILES

CCCCC(O)CCCC

InChIKey

FCBBRODPXVPZAH-UHFFFAOYSA-N

InChI

InChI=1S/C9H20O/c1-3-5-7-9(10)8-6-4-2/h9-10H,3-8H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

Dibutylcarbinol
NSC 4552

Reactions

Di-n-butylcarbinol (5-Nonanol)product

Work with 5-Nonanol

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

6-Undecanol23708-56-783 % similar 3-Heptanol589-82-275 % similar 4-Decanol2051-31-271 % similar 1,2-Hexanediol6920-22-571 % similar 4-Heptanol589-55-967 % similar 3-Octanol20296-29-164 % similar 3-Octanol589-98-064 % similar 3-Decanol1565-81-761 % similar

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

Same formula

2,6-Dimethyl-4-heptanol108-82-7 2,6-Dimethyl-2-heptanol13254-34-7 1-Nonanol143-08-8 3,6-Dimethyl-3-heptanol1573-28-0 2,4-Dimethyl-3-heptanol19549-72-5 3,5,5-Trimethyl-1-hexanol3452-97-9 3-Methyl-3-octanol5340-36-3 4-Nonanol5932-79-6

Elsewhere

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