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8064-18-4

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Basic Information
CAS No.: 8064-18-4
Name: butyl (4-chloro-2-methylphenoxy)acetate - pentyl (2,4,5-trichlorophenoxy)acetate (1:1)
Molecular Structure:
Molecular Structure of 8064-18-4 (butyl (4-chloro-2-methylphenoxy)acetate - pentyl (2,4,5-trichlorophenoxy)acetate (1:1))
Formula: C13H17ClO3•C13H15Cl3O3
Molecular Weight: 582.38
Density: g/cm3
Boiling Point: 385.8°Cat760mmHg
Flash Point: 143.7°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−.
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Chemistry

Product Name: Tselatox (CAS NO.8064-18-4)


Molecular Formula: C26H32Cl4O6
Molecular Weight: 582.3407 g/mol
Mol File: 8064-18-4.mol
Boiling point: 385.8 °C at 760 mmHg
Flash Point: 143.7 °C
Enthalpy of Vaporization: 63.47 kJ/mol
Vapour Pressure: 3.7E-06 mmHg at 25°C
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of Tselatox (CAS NO.8064-18-4):
  IUPAC Name: butyl 2-(4-chloro-2-methylphenoxy)acetate; pentyl2-(2,4,5-trichlorophenoxy)acetate
  Canonical SMILES: CCCCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl.CCCCOC(=O)COC1=C(C=C(C=C1)Cl)C
  InChI: InChI=1S/C13H15Cl3O3.C13H17ClO3/c1-2-3-4-5-18-13(17)8-19-12-7-10(15)9(14)6-11(12)16;1-3-4-7-16-13(15)9-17-12-6-5-11(14)8-10(12)2/h6-7H,2-5,8H2,1H3;5-6,8H,3-4,7,9H2,1-2H3 
  InChIKey: CLNMVBDOFHGIOJ-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1600mg/kg (1600mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)		 Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 9, Pg. 72, 1970.
mouse LD50 oral 1300mg/kg (1300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)		 Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 9, Pg. 72, 1970.
rat LD50 oral 1600mg/kg (1600mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)		 Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 9, Pg. 72, 1970.

Safety Profile

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

Specification

 Tselatox ,its CAS NO. is 8064-18-4,the synonyms is Celatox ; TSLT ; Acetic acid, (4-chloro-2-methylphenoxy)-, butyl ester, mixt. with pentyl (2,4,5-trichlorophenoxy)acetate .