chempirical

Diglycidyl tetrahydrophthalate

C14H18O6CAS 21544-03-6282.29 g/mol

Open in Covalent MOL file
OOOOOO
AlkeneEpoxideEsterEther

Properties

Molecular formula
C14H18O6
Molar mass
282.29 g/mol
Exact mass
282.1103 Da
Density
1.1545 g/mL (at 20 °C)
Boiling point
200–202 °C (at 5 Torr)
logP
0.45Crippen estimate
Polar surface area
77.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
21544-03-6
SMILES
O=C(OCC1CO1)C1CC=CCC1C(=O)OCC1CO1
InChIKey
KTPIWUHKYIJBCR-UHFFFAOYSA-N
InChI
InChI=1S/C14H18O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h1-2,9-12H,3-8H2

Weigh it out

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

Names and synonyms

9 names
  • 4-Cyclohexene-1,2-dicarboxylic acid, 1,2-bis(2-oxiranylmethyl) ester
  • 4-Cyclohexene-1,2-dicarboxylic acid, bis(2,3-epoxypropyl) ester
  • 4-Cyclohexene-1,2-dicarboxylic acid, bis(oxiranylmethyl) ester
  • 1-Propanol, 2,3-epoxy-, 4-cyclohexene-1,2-dicarboxylate (2:1)
  • δ4-Tetrahydrophthalic acid diglycidyl ester
  • Diglycidyl δ4-tetrahydrophthalate
  • Tetrahydrophthalic acid diglycidyl ester
  • Diglycidyl 4-cyclohexene-1,2-dicarboxylate
  • Diglycidyl 1,2,3,6-tetrahydrophthalate

Work with Diglycidyl tetrahydrophthalate

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

Diglycidyl hexahydrophthalate5493-45-863 % similar 1,2,3,6-Tetrahydrophthalic anhydride85-43-859 % similar Tetrahydrophthalic anhydride935-79-559 % similar Glycidyl acrylate106-90-144 % similar (2R)-Oxiran-2-ylmethyl butanoate60456-26-040 % similar (+)-Glycidyl butyrate65031-96-140 % similar Ethyl glycidate4660-80-439 % similar Glycidyl methacrylate106-91-239 % similar

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

Same formula

Bis(2-methoxyethyl) phthalate117-82-8 Ethyl (3,4,5-trimethoxybenzoyl)acetate3044-56-2 Methyl 4,6-O-benzylidene-α-D-glucopyranoside3162-96-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook