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4336-19-0

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Basic Information
CAS No.: 4336-19-0
Name: 1-Cyclohexene-1,2-dicarboxylic acid dimethyl ester
Article Data: 10
Molecular Structure:
Molecular Structure of 4336-19-0 (1-Cyclohexene-1,2-dicarboxylic acid dimethyl ester)
Formula: C10H14O4
Molecular Weight: 198.219
Synonyms: Tetrahydrophthalic acid dimethyl ester;cyclohex-1-ene-1,2-dicarboxylic acid dimethyl ester;1,2-dimethyl cyclohex-1-ene-1,2-dicarboxylate;dimethyl-cyclohexene-1,2-dicarboxylate;1-Cyclohexene-1,2-dicarboxylic acid,dimethyl ester;dimethyl-1,2-cyclohexene dicarboxylate;dimethyl 1-cyclohexene-1,2-dicarboxylate;Dimethyl tetrahydrophthalate;Cyclohex-1-en-1,2-dicarbonsaeure-dimethylester;
Density: 1.159g/cm3
Boiling Point: 262.6°C at 760 mmHg
Flash Point: 124.4°C
Safety: Moderately toxic by ingestion. An eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
PSA: 52.60000
LogP: 1.20300
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Chemistry

Empirical Formula of Dimethyl tetrahydrophthalate (CAS NO.4336-19-0): C10H14O4
Molecular Weight: 198.2158 
Index of Refraction: 1.486
Density: 1.159 g/cm3
Flash Point: 124.4 °C
Enthalpy of Vaporization: 50.04 kJ/mol
Boiling Point: 262.6 °C at 760 mmHg
Vapour Pressure: 0.0108 mmHg at 25 °C
Structure of Dimethyl tetrahydrophthalate (CAS NO.4336-19-0):
                       
IUPAC Name: Dimethyl cyclohexene-1,2-dicarboxylate
Canonical SMILES: COC(=O)C1=C(CCCC1)C(=O)OC
InChI: InChI=1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H2,1-2H3
InChIKey: APGUUZNLMFETAH-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 500 mg

     AJOPAA    American Journal of Ophthalmology. 29 (1946),1363.
2.    

orl-rat LD50:700 mg/kg

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 31 (1949),60.

Safety Profile

Moderately toxic by ingestion. An eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. When heated to decomposition Dimethyl tetrahydrophthalate (CAS NO.4336-19-0) emits acrid smoke and irritating fumes. See also ESTERS.

Specification

 Dimethyl tetrahydrophthalate , its cas register number is 4336-19-0. It also can be called 1-Cyclohexene-1,2-dicarboxylic acid, dimethyl ester ; BRN 2050919 ; Tetrahydrophthalic acid dimethyl ester ; and Dimethylester kyseliny tetrahydroftalove .