2-Undecanone

C₁₁H₂₂OCAS 112-12-9170.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₂₂O
Molar mass: 170.30 g/mol
Exact mass: 170.1671 Da
Density: 0.83 g/mL (at 15 °C)
Melting point: 15 °C
Boiling point: 231.5 °C
Flash point: 88.9 °C (closed cup)
Water solubility: insoluble
logP: 3.72Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 8

Hazards

Warning

H400 Very toxic to aquatic life84.3% of notifiers

Aggregated from 1,781 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

112-12-9

SMILES

CCCCCCCCCC(C)=O

InChIKey

KYWIYKKSMDLRDC-UHFFFAOYSA-N

InChI

InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

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Names and synonyms

9 names

Methyl nonyl ketone
Methyl n-nonyl ketone
Nonyl methyl ketone
2-Hendecanone
NSC 4028
BioUD 30
BioUD
BioUD 8
Mostique EGX 101

Work with 2-Undecanone

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

2-Octanone111-13-7100 % similar 2-Tetradecanone2345-27-9100 % similar 2-Pentadecanone2345-28-0100 % similar 2-Tridecanone593-08-8100 % similar 2-Dodecanone6175-49-1100 % similar 2-Nonadecanone629-66-3100 % similar 2-Decanone693-54-9100 % similar 2-Nonanone821-55-6100 % similar

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

Same formula

10-Undecen-1-ol112-43-6 Undecanal112-44-7 4-Undecanone14476-37-0 3-Undecanone2216-87-7 4-(1,1-Dimethylpropyl)cyclohexanol5349-51-9 2,2-Dimethyl-5-pentyltetrahydrofuran53684-53-0 6-Undecanone927-49-1

Elsewhere

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