chempirical

Triallyl trimellitate

C18H18O6CAS 2694-54-4330.34 g/mol

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AlkeneEster

Properties

Molecular formula
C18H18O6
Molar mass
330.34 g/mol
Exact mass
330.1103 Da
Density
1.1531 g/mL (at 20 °C)
Boiling point
109–116 °C (at 4.5 Torr)
logP
2.71Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
9

Identifiers

CAS number
2694-54-4
SMILES
C=CCOC(=O)c1ccc(C(=O)OCC=C)c(C(=O)OCC=C)c1
InChIKey
GRPURDFRFHUDSP-UHFFFAOYSA-N
InChI
InChI=1S/C18H18O6/c1-4-9-22-16(19)13-7-8-14(17(20)23-10-5-2)15(12-13)18(21)24-11-6-3/h4-8,12H,1-3,9-11H2

Weigh it out

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

Names and synonyms

8 names
  • 1,2,4-Benzenetricarboxylic acid, 1,2,4-tri-2-propen-1-yl ester
  • 1,2,4-Benzenetricarboxylic acid, triallyl ester
  • 1,2,4-Benzenetricarboxylic acid, tri-2-propenyl ester
  • Trimellitic acid triallyl ester
  • TRIAM 705
  • 1,2,4-Triallyl trimellitate
  • TRIAM 750
  • Triallyl 1,2,4-benzenetricarboxylate

Work with Triallyl trimellitate

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

Diallyl terephthalate1026-92-274 % similar Diallyl isophthalate1087-21-471 % similar Diallyl phthalate131-17-967 % similar Ethylene glycol bis(anhydrotrimellitate)1732-96-358 % similar Trimethyl trimellitate2459-10-149 % similar Trioctyl trimellitate3319-31-147 % similar 4-Meta70293-55-947 % similar Benzophenonetetracarboxylic dianhydride2421-28-546 % similar

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

Same formula

Acetylshikonin24502-78-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook