4-Nonanone

C₉H₁₈OCAS 4485-09-0142.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₈O
Molar mass: 142.24 g/mol
Exact mass: 142.1358 Da
Density: 0.8257 g/mL (at 20 °C)
Boiling point: 187.5 °C
logP: 2.94Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 38 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

4485-09-0

SMILES

CCCCCC(=O)CCC

InChIKey

TYBCSQFBSWACAA-UHFFFAOYSA-N

InChI

InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

Propyl amyl ketone
Pentyl propyl ketone

Work with 4-Nonanone

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-Undecanone14476-37-095 % similar 4-Decanone624-16-895 % similar 6-Undecanone927-49-189 % similar 11-Heneicosanone19781-72-785 % similar Hexyl ketone462-18-085 % similar 18-Pentatriacontanone504-53-085 % similar Nonyl ketone504-57-485 % similar 12-Tricosanone540-09-085 % similar

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

Same formula

(Z)-3-Nonen-1-ol10340-23-5 Isobutyl ketone108-83-8 3,3,5-Trimethylcyclohexanol116-02-9 Nonanal124-19-6 1-Nonen-3-ol21964-44-3 trans-2-Nonen-1-ol31502-14-4 4,6-Dimethylhept-1-en-4-ol32189-75-6 cis-6-Nonen-1-ol35854-86-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook