chempirical

Butyl decanoate

C14H28O2CAS 30673-36-0228.38 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C14H28O2
Molar mass
228.38 g/mol
Exact mass
228.2089 Da
logP
4.47Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
11

Hazards

Not classified as hazardous under GHS by 7 ECHA notifiers. Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
30673-36-0
SMILES
CCCCCCCCCC(=O)OCCCC
InChIKey
ZRNCNTSXSYXHOW-UHFFFAOYSA-N
InChI
InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3

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Names and synonyms

3 names
  • Decanoic acid, butyl ester
  • Butyl caprate
  • AI 3-33573b

Work with Butyl decanoate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butyl laurate106-18-3100 % similar Butyl myristate110-36-1100 % similar Butyl palmitate111-06-8100 % similar Butyl stearate123-95-5100 % similar Butyl octanoate589-75-3100 % similar Dibutyl sebacate109-43-396 % similar Dibutyl azelate2917-73-996 % similar Butyl hexanoate626-82-496 % similar

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

Same formula

Ethyl dodecanoate106-33-2 Dodecyl acetate112-66-3 Methyl tridecanoate1731-88-0 Myristic acid544-63-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook