Basic information
- Name:
1,4-Cyclohexanedicarboxylicacid, 1,4-dimethyl ester
- Superlist Name:
- Dimethyl 1,4-cyclohexanedicarboxylate
- CAS No.:
94-60-0
- Molecular Structure:
- Formula:
- C10H16O4
- Molecular Weight:
- 200.23
- Synonyms:
- 1,4-Cyclohexanedicarboxylicacid, dimethyl ester (6CI,7CI,8CI,9CI);1,4-Cyclohexanedicarboxylic dimethylester;Dimethyl hexahydroterephthalate;
- EINECS:
- 202-347-5
- Density:
- 1.102 g/cm3
- Melting Point:
- 24-27 °C
- Boiling Point:
- 263.5 °C at 760 mmHg
- Flash Point:
- 115.4 °C
- Solubility:
- practically insoluble in water
- Appearance:
- clear colorless liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36-52/53-38
- Safety Description:
- 26-36-61-37 Details
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Chemistry
IUPAC Name: dimethyl cyclohexane-1,4-dicarboxylate
Empirical Formula: C10H16O4
Molecular Weight: 200.2316g/mol
EINECS: 202-347-5
Structure of 1,4-Cyclohexanedicarboxylicacid, 1,4-dimethyl ester (CAS NO.94-60-0):
Index of Refraction: 1.457
Molar Refractivity: 49.57 cm3
Molar Volume: 181.6 cm3
Polarizability: 19.65×10-24cm3
Surface Tension: 36.9 dyne/cm
Density: 1.102 g/cm3
Flash Point: 115.4 °C
Enthalpy of Vaporization: 50.14 kJ/mol
Boiling Point: 263.5 °C at 760 mmHg
Vapour Pressure: 0.0102 mmHg at 25°C
Product Categories: 4-Substituted Cyclohexanecarboxylic Acids;C10 to C11;Carbonyl Compounds;Esters
Water Solubility: practically insoluble
Physical Appearance: clear colorless liquid after melting
Canonical SMILES: COC(=O)C1CCC(CC1)C(=O)OC
InChI: 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
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36-52/53-38
R36:Irritating to eyes.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R38:Irritating to skin.
Safety Statements: 26-36-61-37
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 sheets.
S37:Wear suitable gloves.
WGK Germany: 1
Hazardous Substances Data: 94-60-0(Hazardous Substances Data)
Specification
1,4-Cyclohexanedicarboxylicacid, 1,4-dimethyl ester , its cas register number is 94-60-0. It also can be called AI3-28580 ;
Dimethyl 1,4-cyclohexanedicarboxylate ; EINECS 202-347-5 ; HSDB 5284 . 1,4-Cyclohexanedicarboxylicacid, 1,4-dimethyl ester is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
