1,9-Nonanediol

C₉H₂₀O₂CAS 3937-56-2160.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₀O₂
Molar mass: 160.26 g/mol
Exact mass: 160.1463 Da
Melting point: 45.8 °C
Boiling point: 147–149 °C (at 1 Torr)
logP: 1.70Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers
H412 Harmful to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3937-56-2

SMILES

OCCCCCCCCCO

InChIKey

ALVZNPYWJMLXKV-UHFFFAOYSA-N

InChI

InChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2

Weigh it out

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

Names and synonyms

4 names

α,ω-Nonanediol
1,9-Dihydroxynonane
NSC 5416
Nonamethylene glycol

Work with 1,9-Nonanediol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,5-Pentanediol111-29-5100 % similar 1,10-Decanediol112-47-0100 % similar 1,13-Tridecanediol13362-52-2100 % similar 1,14-Tetradecanediol19812-64-7100 % similar 1,18-Octadecanediol3155-43-9100 % similar 1,12-Dodecanediol5675-51-4100 % similar 1,6-Hexanediol629-11-8100 % similar 1,7-Heptanediol629-30-1100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Butyl-2-ethyl-1,3-propanediol115-84-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook