| Identification | More | [Name]
Dimethyl 1,4-cyclohexanedicarboxylate | [CAS]
94-60-0 | [Synonyms]
1,4-CYCLOHEXANEDICARBOXYLIC ACID DIMETHYL ESTER
1,4-DIMETHYL CYCLOHEXANEDICARBOXYLATE
CYCLOHEXANE-1,4-DICARBOXYLIC ACID DIMETHYL ESTER
DIMETHYL 1,4-CYCLOHEXANEDICARBOXYLATE
DIMETHYL CYCLOHEXANE-1,4-DICARBOXYLATE
DIMETHYL HEXAHYDROTEREPHTHALATE
HEXAHYDROTEREPHTHALIC ACID DIMETHYL ESTER
1,4-Cyclohexanedicarboxylic acid dimethyl ester,c&t
1,4-Cyclohexanedicarboxylic dimethyl ester
1,4-cyclohexanedicarboxylicdimethylester
Dimethyl 1,4-cyclohexanedicarboxylate,c&t
dimethyl1,4-cyclohexanedicarboxylate,mixtureofcisandtransisomers
DIMETHYL CYCLOHEXANE-1,4-DICARBOXYLATE ( CIS+TRANS)
DIMETHYL 1,4-CYCLOHEXANEDICARBOXYLATE, 9 7%, MIXTURE OF CIS AND TRANS
Dimethyl-1,4-cyclohexanedicarboxylate, cis + trans, 99%
1,4-CYCLOHEXANEDICARBOXYLIC ACID DIMETHYL ESTER (CIS+TRANS)
Dimethyl 1,4-cyclohexanedicarboxylate, mixture of cis and trans, 90-95%
dimethyl cyclohexane-1,4-dicarboxylate, mixture of cis and trans
1,4-Dimethylhexahydroterephthalat
Dimethyl 1,4-cyclohexanedicarboxylate, cis + trans, 90+% | [EINECS(EC#)]
202-347-5 | [Molecular Formula]
C10H16O4 | [MDL Number]
MFCD00001460 | [Molecular Weight]
200.23 | [MOL File]
94-60-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid after melting | [Melting point ]
24-27 °C
| [Boiling point ]
132 °C10 mm Hg(lit.)
| [density ]
1.111 g/mL at 25 °C
| [vapor density ]
6.9 (vs air)
| [vapor pressure ]
1 mm Hg ( 85 °C)
| [refractive index ]
n20/D 1.458
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Liquid After Melting | [color ]
Clear colorless | [explosive limit]
0.77%, 150°F | [Water Solubility ]
practically insoluble | [BRN ]
1876703 | [Henry's Law Constant]
1.0×102 mol/(m3Pa) at 25℃, HSDB (2015) | [InChI]
1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3 | [InChIKey]
LNGAGQAGYITKCW-UHFFFAOYSA-N | [SMILES]
COC(=O)C1CCC(CC1)C(=O)OC | [LogP]
2.29 at 30℃ | [CAS DataBase Reference]
94-60-0(CAS DataBase Reference) | [NIST Chemistry Reference]
1,4-Cyclohexanedicarboxylic acid, dimethyl ester(94-60-0) | [EPA Substance Registry System]
94-60-0(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H319 | [Precautionary statements ]
P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36:Irritating to the eyes.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R38:Irritating to the skin. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37:Wear suitable gloves . | [WGK Germany ]
1
| [Autoignition Temperature]
730 °F | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29172090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2 | [Hazardous Substances Data]
94-60-0(Hazardous Substances Data) |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless liquid after melting | [Uses]
1,4-Cyclohexanedicarboxylic Dimethyl Ester is a building block that has been used as a reactant for the preparation of cycloalkylamide derivatives as inhibitors of the soluble epoxide hydrolase. | [Flammability and Explosibility]
Nonflammable | [Synthesis]
Methanol (500 mL) was cooled to 0°C under ice-salt bath conditions and thionyl chloride (138 g, 4.0 eq.) was added slowly and dropwise. Cis-1,4-cyclohexanedicarboxylic acid (50 g, 1.0 eq.) was added to the above prepared HCl-methanol solution, followed by heating and refluxing the reaction mixture for 1 hour. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the solvent was removed by evaporation and the residue was diluted with distilled water and extracted with ethyl acetate (3 x 100 mL). The combined ethyl acetate layers were washed sequentially with saturated NaHCO3 solution and saturated brine and dried over anhydrous Na2SO4. Finally, the solvent was removed by evaporation to give dimethyl 1,4-cyclohexanedicarboxylate (56.4 g, 97% yield) as a white solid. | [References]
[1] Patent: WO2012/154204, 2012, A1. Location in patent: Page/Page column 83; 84
[2] Journal of Physical Chemistry A, 2010, vol. 114, # 3, p. 1446 - 1456
[3] Patent: WO2012/145569, 2012, A1. Location in patent: Page/Page column 134 |
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