chempirical

Ethyl undecanoate

C13H26O2CAS 627-90-7214.35 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C13H26O2
Molar mass
214.35 g/mol
Exact mass
214.1933 Da
Density
0.87 g/mL
Melting point
−15 °C
Boiling point
131 °C
logP
4.08Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
10

Hazards

Not classified as hazardous under GHS by 136 ECHA notifiers. Aggregated from 136 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
627-90-7
SMILES
CCCCCCCCCCC(=O)OCC
InChIKey
IAFQYUQIAOWKSB-UHFFFAOYSA-N
InChI
InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3

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Names and synonyms

4 names
  • Undecanoic acid, ethyl ester
  • Hendecanoic acid, ethyl ester
  • Ethyl undecylate
  • NSC 97265

Work with Ethyl undecanoate

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

Ethyl heptanoate106-30-9100 % similar Ethyl octanoate106-32-1100 % similar Ethyl dodecanoate106-33-2100 % similar Ethyl decanoate110-38-3100 % similar Ethyl stearate111-61-5100 % similar Ethyl nonanoate123-29-5100 % similar Ethyl myristate124-06-1100 % similar Ethyl heptadecanoate14010-23-2100 % similar

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

Same formula

Methyl laurate111-82-0 Isoamyl octanoate2035-99-6 Pentyl octanoate638-25-5 Tridecylic acid638-53-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook