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Cas Database |
| Name |
Ethyl 3,3-dimethyl-4,6,6-trichloro-5-hexenoate |
EINECS | N/A |
| CAS No. | 59897-92-6 | Density | 1.215g/cm3 |
| PSA | 26.30000 | LogP | 3.89220 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H15 Cl3 O2 | Boiling Point | 306.8°C at 760 mmHg |
| Molecular Weight | 273.587 | Flash Point | 112.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
ethyl 4,6,6-trichloro-3,3-dimethyl-hex-5-enoate;ethyl 4，6，6-trichloro-3，3-dimethyl hexeno-5-ate |
Article Data | 2 |
Ethyl 3,3-dimethyl-4,6,6-trichloro-5-hexenoate Chemical Properties
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):
.bmp)
Ethyl 3,3-dimethyl-4,6,6-trichloro-5-hexenoate 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. |
Ethyl 3,3-dimethyl-4,6,6-trichloro-5-hexenoate Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of Cl−.
Ethyl 3,3-dimethyl-4,6,6-trichloro-5-hexenoate 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−.
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