ChemicalBook--->CAS DataBase List--->1139-13-5

1139-13-5

1139-13-5 Structure

1139-13-5 Structure
IdentificationBack Directory
[Name]

1,1-CYCLOHEXANEDICARBOXYLIC ACID DIETHYL ESTER
[CAS]

1139-13-5
[Synonyms]

1,1-Bis(ethoxycarbonyl)cyclohexane
DIETHYL 1,1-CYCLOHEXANEDICARBOXYLATE
DIETHYL CYCLOHEXANE-1,1-DICARBOXYLATE
diMethyl cyclohexane-1,1-dicarboxylate
Cyclohexanedicarboxylicaciddiethylester
1,1-diethyl cyclohexane-1,1-dicarboxylate
1,1-CYCLOHEXANEDICARBOXYLIC ACID DIETHYL ESTER
cyclohexane-1,1-dicarboxylic acid diethyl ester
1,1-Cyclohexanedicarboxylic acid, diethyl ester1
1,1-CYCLOHEXANEDICARBOXYLIC ACID DIETHYL ESTER 95+%
[Molecular Formula]

C12H20O4
[MDL Number]

MFCD02093457
[MOL File]

1139-13-5.mol
[Molecular Weight]

228.28
Chemical PropertiesBack Directory
[Melting point ]

84-85 °C
[Boiling point ]

137°C 16mm
[density ]

1,04 g/cm3
[refractive index ]

1.4460-1.4490
[storage temp. ]

2-8°C
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

1.04
[InChI]

InChI=1S/C12H20O4/c1-3-15-10(13)12(11(14)16-4-2)8-6-5-7-9-12/h3-9H2,1-2H3
[InChIKey]

MLHUKQNAQSRVKI-UHFFFAOYSA-N
[SMILES]

C1CC(C(OCC)=O)(C(=O)OCC)CCC1
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[HS Code ]

2902110000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Synthesis Reference(s)]

Journal of the American Chemical Society, 113, p. 9882, 1991 DOI: 10.1021/ja00026a041
Spectrum DetailBack Directory
[Spectrum Detail]

1,1-CYCLOHEXANEDICARBOXYLIC ACID DIETHYL ESTER(1139-13-5)MS
1,1-CYCLOHEXANEDICARBOXYLIC ACID DIETHYL ESTER(1139-13-5)1HNMR
1,1-CYCLOHEXANEDICARBOXYLIC ACID DIETHYL ESTER(1139-13-5)13CNMR
1,1-CYCLOHEXANEDICARBOXYLIC ACID DIETHYL ESTER(1139-13-5)IR1
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