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Basic Information
CAS No.: 59897-92-6
Name: ethyl 4,6,6-trichloro-3,3-dimethyl-hex-5-enoate
Molecular Structure:
Molecular Structure of 59897-92-6 (ethyl 4,6,6-trichloro-3,3-dimethyl-hex-5-enoate)
Formula: C10H15 Cl3 O2
Molecular Weight: 273.587
Synonyms: ethyl 4,6,6-trichloro-3,3-dimethyl-hex-5-enoate;ethyl 4，6，6-trichloro-3，3-dimethyl hexeno-5-ate
Density: 1.215g/cm3
Boiling Point: 306.8°C at 760 mmHg
Flash Point: 112.2°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of Cl−.
PSA: 26.30000
LogP: 3.89220
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Chemistry

IUPAC Name: ethyl 4,6,6-trichloro-3,3-dimethylhex-5-enoate 
Empirical Formula: C10H15Cl3O2
Molecular Weight: 273.5839g/mol 
Index of Refraction: 1.485
Molar Refractivity: 64.52 cm3
Molar Volume: 225 cm3
 Polarizability: 25.57×10-24cm3
Surface Tension: 34.6 dyne/cm
Density: 1.215 g/cm3
Flash Point: 112.2 °C
Enthalpy of Vaporization: 54.73 kJ/mol
Boiling Point: 306.8 °C at 760 mmHg
Vapour Pressure: 0.000755 mmHg at 25°C
Canonical SMILES: CCOC(=O)CC(C)(C)C(C=C(Cl)Cl)Cl
InChI: InChI=1S/C10H15Cl3O2/c1-4-15-9(14)6-10(2,3)7(11)5-8(12)13/h5,7H,4,6H2,1-3H3
InChIKey: PIUGWHOPZWEXQQ-UHFFFAOYSA-N
Structure of Ethyl 3,3-dimethyl-4,6,6-trichloro-5-hexenoate (CAS NO.59897-92-6):

Toxicity Data With Reference

1.    

orl-rat LD50:3166 mg/kg

     GISAAA    Gigiena i Sanitariya. 55 (7)(1990),93.
2.    

orl-mus LD50:3200 mg/kg

     GISAAA    Gigiena i Sanitariya. 55 (7)(1990),93.
3.    

orl-gpg LD50:3600 mg/kg

     GISAAA    Gigiena i Sanitariya. 55 (7)(1990),93.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of Cl−.

Specification

 Ethyl 3,3-dimethyl-4,6,6-trichloro-5-hexenoate , its cas register number is 59897-92-6. It also can be called BRN 2048863 ; 5-Hexenoic acid, 3,3-dimethyl-4,6,6-trichloro-, ethyl ester . When Ethyl 3,3-dimethyl-4,6,6-trichloro-5-hexenoate (CAS NO.59897-92-6) is heated to decomposition. it emits toxic vapors of Cl−.