Methyl tridecanoate

C₁₄H₂₈O₂CAS 1731-88-0228.38 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₈O₂
Molar mass: 228.38 g/mol
Exact mass: 228.2089 Da
Melting point: 6.5 °C
Boiling point: 92 °C
logP: 4.47Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 11

Hazards

Danger

H318 Causes serious eye damage37.5% of notifiers
H413 May cause long lasting harmful effects to aquatic life25% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P354+P338, P317, P501

Identifiers

CAS number

1731-88-0

SMILES

CCCCCCCCCCCCC(=O)OC

InChIKey

JNDDPBOKWCBQSM-UHFFFAOYSA-N

InChI

InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

Tridecanoic acid, methyl ester
Methyl n-tridecanoate
NSC 163375

Work with Methyl tridecanoate

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

Methyl heptanoate106-73-0100 % similar Methyl decanoate110-42-9100 % similar Methyl octanoate111-11-5100 % similar Methyl laurate111-82-0100 % similar Methyl palmitate112-39-0100 % similar Methyl stearate112-61-8100 % similar Methyl eicosanoate1120-28-1100 % similar Methyl myristate124-10-7100 % similar

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

Same formula

Ethyl dodecanoate106-33-2 Dodecyl acetate112-66-3 Butyl decanoate30673-36-0 Myristic acid544-63-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook