Product Name: 2,4-D crotyl ester (CAS NO.14600-07-8)
Molecular Formula: C12H12Cl2O3
Molecular Weight: 275.14g/mol
Mol File: 14600-07-8.mol
Boiling point: 357.7 °C at 760 mmHg
Flash Point: 141.4 °C
Density: 1.268 g/cm3
Surface Tension: 40.2 dyne/cm
Enthalpy of Vaporization: 60.31 kJ/mol
Vapour Pressure: 2.68E-05 mmHg at 25°C
XLogP3-AA: 4
H-Bond Donor: 3
H-Bond Acceptor: 3
Structure Descriptors of 2,4-D crotyl ester (CAS NO.14600-07-8):
IUPAC Name: [(E)-but-2-enyl] 2-(2,4-dichlorophenoxy)acetate
Canonical SMILES: CC=CCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
Isomeric SMILES: C/C=C/COC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI: InChI=1S/C12H12Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h2-5,7H,6,8H2,1H3/b3-2+
InChIKey: BZHQSLLUNKPKPL-NSCUHMNNSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | unreported | 580mg/kg (580mg/kg) | Hygiene and Sanitation Vol. 31(7-9), Pg. 383, 1966. | |
rat | LC50 | inhalation | 520mg/m3/4H (520mg/m3) | Hygiene and Sanitation Vol. 31(7-9), Pg. 383, 1966. | |
rat | LD50 | unreported | 452mg/kg (452mg/kg) | Hygiene and Sanitation Vol. 31(7-9), Pg. 383, 1966. |
Moderately toxic by inhalation and possibly other routes. When heated to decomposition it emits toxic fumes of Cl−. See also ESTERS.
2,4-D crotyl ester , its CAS NO. is 14600-07-8, the synonyms are Acetic acid, 2,4-dichlorophenoxy-, crotyl ester ; Crotyl 2,4-dichlorophenoxyacetate ; Acetic acid, 2,4-dichlorophenoxy-, 2-butenyl ester .
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