2-Tridecanone

C₁₃H₂₆OCAS 593-08-8198.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₆O
Molar mass: 198.35 g/mol
Exact mass: 198.1984 Da
Density: 0.817–0.823 g/mL
Melting point: 30.5 °C
Boiling point: 263 °C
Flash point: 107.2 °C
Water solubility: < 1 g/L (22.8 °C)
logP: 4.50Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 10

Hazards

Warning

H400 Very toxic to aquatic life96.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.6% of notifiers

Aggregated from 1,596 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

593-08-8

SMILES

CCCCCCCCCCCC(C)=O

InChIKey

CYIFVRUOHKNECG-UHFFFAOYSA-N

InChI

InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3

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

Names and synonyms

3 names

Methyl undecyl ketone
Tridecanone-2
NSC 14763

Work with 2-Tridecanone

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-Undecanone112-12-9100 % similar 2-Tetradecanone2345-27-9100 % similar 2-Pentadecanone2345-28-0100 % 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

Tridecanal10486-19-8 Hexyl ketone462-18-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook