Methyl undecanoate

C₁₂H₂₄O₂CAS 1731-86-8200.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₄O₂
Molar mass: 200.32 g/mol
Exact mass: 200.1776 Da
Boiling point: 230–260 °C
logP: 3.69Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 9

Hazards

Danger

H318 Causes serious eye damage22.2% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1731-86-8

SMILES

CCCCCCCCCCC(=O)OC

InChIKey

XPQPWPZFBULGKT-UHFFFAOYSA-N

InChI

InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

Undecanoic acid, methyl ester
Methyl n-undecanoate

Work with Methyl 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

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 decanoate110-38-3 Octyl butyrate110-39-4 Decyl acetate112-17-4 1,1-Bis(1-methylethoxy)cyclohexane1132-95-2 Lauric acid143-07-7 Butyl octanoate589-75-3 Hexyl hexanoate6378-65-0

Elsewhere

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