Undecylic acid

C11H22O2CAS 112-37-8186.29 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C11H22O2
Molar mass
186.29 g/mol
Exact mass
186.1620 Da
Density
0.9619 g/mL (at 20 °C)
Melting point
28.6 °C
Boiling point
280 °C
Flash point
110 °C
logP
3.60Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
9

Hazards

Warning
Irritant (GHS07)

Aggregated from 167 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
112-37-8
SMILES
CCCCCCCCCCC(=O)O
InChIKey
ZDPHROOEEOARMN-UHFFFAOYSA-N
InChI
InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)

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Names and synonyms

8 names
  • Undecanoic acid
  • 1-Decanecarboxylic acid
  • Hendecanoic acid
  • n-Undecoic acid
  • n-Undecylic acid
  • n-Undecanoic acid
  • NSC 7885
  • 1n-Undecoic acid

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 112-37-8. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Undecylic acid

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

Pentadecylic acid1002-84-2100 % similar Enanthic acid111-14-8100 % similar Pelargonic acid112-05-0100 % similar Behenic acid112-85-6100 % similar Caprylic acid124-07-2100 % similar Lauric acid143-07-7100 % similar Heneicosylic acid2363-71-5100 % similar Tricosylic acid2433-96-7100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Hexyl 2-methylbutanoate10032-15-2 Methyl decanoate110-42-9 Ethyl nonanoate123-29-5 2,2-Dimethylnonanoic acid14250-75-0 Nonyl acetate143-13-5 Isoamyl hexanoate2198-61-0 2-Ethylhexyl glycidyl ether2461-15-6 7-Methoxy-3,7-dimethyloctanal3613-30-7

Elsewhere

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