Diglycidyl hexahydrophthalate
Properties
- Molecular formula
- C14H20O6
- Molar mass
- 284.31 g/mol
- Exact mass
- 284.1260 Da
- Density
- 1.227 g/mL (at 17.1 °C)
- Boiling point
- 152.8 °C
- Flash point
- 190 °C
- Water solubility
- < 1 g/L (16.1 °C)
- logP
- 0.68Crippen estimate
- Polar surface area
- 77.7 Ų
- H-bond donors / acceptors
- 0 / 6
- Rotatable bonds
- 6
Hazards
Warning
- H315 Causes skin irritation79.5% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
- H319 Causes serious eye irritation79.5% of notifiers
- H335 May cause respiratory irritation56.2% of notifiers
- H412 Harmful to aquatic life with long lasting effects38.4% of notifiers
Aggregated from 112 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5493-45-8SMILES
O=C(OCC1CO1)C1CCCCC1C(=O)OCC1CO1InChIKey
XFUOBHWPTSIEOV-UHFFFAOYSA-NInChI
InChI=1S/C14H20O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h9-12H,1-8H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-oxiranylmethyl) ester
- 1,2-Cyclohexanedicarboxylic acid, bis(2,3-epoxypropyl) ester
- 1,2-Cyclohexanedicarboxylic acid, bis(oxiranylmethyl) ester
- 1-Propanol, 2,3-epoxy-, 1,2-cyclohexanedicarboxylate (2:1)
- Hexahydrophthalic acid diglycidyl ester
- Diglycidyl 1,2-cyclohexanedicarboxylate
- Bis(2,3-epoxypropyl) 1,2-cyclohexanedicarboxylate
- Cyclohexane-1,2-dicarboxylic acid diglycidyl ester
- Zhongsi E 58
- E 58
- Hexahydrophthalic anhydride diglycidyl ether
Work with Diglycidyl hexahydrophthalate
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
Diglycidyl tetrahydrophthalate21544-03-663 % similar
cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-358 % similar
(-)-trans-1,2-Cyclohexanedicarboxylic anhydride31982-85-158 % similar
trans-Cyclohexane-1,2-dicarboxylic anhydride71749-03-658 % similar
Hexahydrophthalic anhydride85-42-758 % similar
1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-753 % similar
Rel-(3aR,6aS)-Tetrahydro-1H-cyclopenta[c]furan-1,3(3aH)-dione35878-28-552 % similar
Diisooctyl 1,2-cyclohexanedicarboxylate84-71-950 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.