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2698-38-6

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Basic Information
CAS No.: 2698-38-6
Name: MCPA-ETHYL ESTER
Article Data: 11
Molecular Structure:
Molecular Structure of 2698-38-6 (MCPA-ETHYL ESTER)
Formula: C11H13 Cl O3
Molecular Weight: 228.675
Synonyms: Aceticacid, (4-chloro-2-methylphenoxy)-, ethyl ester (9CI); Acetic acid,[(4-chloro-o-tolyl)oxy]-, ethyl ester (6CI,7CI,8CI);4-Chloro-2-methylphenoxyacetic acid ethyl ester; Ethyl2-methyl-4-chlorophenoxyacetate; MCP-ethyl; MCPA ethyl ester; MCPA-ethyl; NSC409764
Density: 1.174g/cm3
Boiling Point: 300.4°Cat760mmHg
Flash Point: 118.7°C
Safety: Moderately toxic by ingestion. Experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of Cl−. See also ESTERS.
PSA: 35.53000
LogP: 2.59030
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Chemistry

IUPAC Name: ethyl 2-(4-chloro-2-methylphenoxy)acetate 
Empirical Formula: C11H13ClO3
Molecular Weight: 228.6721g/mol 
EINECS: 220-275-2
Index of Refraction: 1.511
Molar Refractivity: 58.32 cm3
Molar Volume: 194.6 cm3
Polarizability: 23.12×10-24cm3
Surface Tension: 37.4 dyne/cm
Density: 1.174 g/cm3
Flash Point: 118.7 °C
Enthalpy of Vaporization: 54.05 kJ/mol
Boiling Point: 300.4 °C at 760 mmHg 
storage temp: 0-6°C
Vapour Pressure: 0.00112 mmHg at 25°C
Canonical SMILES: CCOC(=O)COC1=C(C=C(C=C1)Cl)C
InChI: InChI=1S/C11H13ClO3/c1-3-14-11(13)7-15-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3
InChIKey: OUYDEKFRLSFDMU-UHFFFAOYSA-N
Structure of Ethyl 2-methyl-4-chlorophenoxyacetate (CAS NO.2698-38-6):

Toxicity Data With Reference

1.    

orl-mus LD50:1290 mg/kg

     YKYUA6    Yakkyoku. Pharmacy. 30 (1979),985.

Safety Profile

Moderately toxic by ingestion. Experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of Cl−. See also ESTERS.

Specification

 Ethyl 2-methyl-4-chlorophenoxyacetate , its cas register number is 2698-38-6. It also can be called -06-00-01991 (Beilstein Handbook Reference) ; 4-Chloro-2-methylphenoxy acetic acid ethyl ester ; AI3-16669 ; Acetic acid, (4-chloro-2-methylphenoxy)-, ethyl ester ; BRN 2117137 ; EINECS 220-275-2 ; MCPA ethyl ester ; MCPA-ethyl ; Mcpee ; NSC 409764 .