1,2-Diethyl 1,2-cyclohexanedicarboxylate
Properties
- Molecular formula
- C12H20O4
- Molar mass
- 228.29 g/mol
- Exact mass
- 228.1362 Da
- Density
- 1.0564 g/mL (at 20 °C)
- Boiling point
- 134–136 °C (at 11 Torr)
- logP
- 1.92Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
10138-59-7SMILES
CCOC(=O)C1CCCCC1C(=O)OCCInChIKey
ZTUZDYWYNQDJKR-UHFFFAOYSA-NInChI
InChI=1S/C12H20O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h9-10H,3-8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Diethyl hexahydrophthalate
- 1,2-Cyclohexanedicarboxylic acid, 1,2-diethyl ester
- 1,2-Cyclohexanedicarboxylic acid, diethyl ester
- Diethyl cyclohexane-1,2-dicarboxylate
- NSC 408342
Work with 1,2-Diethyl 1,2-cyclohexanedicarboxylate
Similar compounds
1,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylate3999-55-168 % similar
Ethyl cyclohexanecarboxylate3289-28-967 % similar
Ethyl cyclobutanecarboxylate14924-53-963 % similar
Ethyl cyclopropanecarboxylate4606-07-962 % similar
1,1,1-Triethyl methanetricarboxylate6279-86-360 % similar
1,3-Diethyl 2-butylpropanedioate133-08-457 % similar
Ethyl 2-piperidinecarboxylate15862-72-356 % similar
Ethyl 2-oxocyclohexanecarboxylate1655-07-856 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds