Dimethyl 1,4-cyclohexanedicarboxylate
Properties
- Molecular formula
- C10H16O4
- Molar mass
- 200.23 g/mol
- Exact mass
- 200.1049 Da
- Density
- 1.1 g/mL
- Melting point
- 71 °C
- Boiling point
- 262–263 °C (at 761 Torr)
- Water solubility
- 12 g/L (25 °C)
- logP
- 1.14Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H319 Causes serious eye irritation61.7% of notifiers
Aggregated from 94 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P305+P351+P338, P337+P317
Identifiers
CAS number
94-60-0SMILES
COC(=O)C1CCC(C(=O)OC)CC1InChIKey
LNGAGQAGYITKCW-UHFFFAOYSA-NInChI
InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester
- 1,4-Cyclohexanedicarboxylic acid, dimethyl ester
- Dimethyl hexahydroterephthalate
- 1,4-Cyclohexanedicarboxylic dimethyl ester
- 1,4-Dimethyl cyclohexane-1,4-dicarboxylate
Work with Dimethyl 1,4-cyclohexanedicarboxylate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Methyl cyclopropanecarboxylate2868-37-3100 % similar
1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-181 % similar
Methyl cyclopentanecarboxylate4630-80-281 % similar
Cyclobutanecarboxylic acid methyl ester765-85-581 % similar
Methyl cyclohexanecarboxylate4630-82-477 % similar
Methyl 4-hydroxycyclohexanecarboxylate17449-76-275 % similar
Methyl 4-hydroxycyclohexanecarboxylate6125-57-175 % similar
Methyl tetrahydropyran-4-carboxylate110238-91-074 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds