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1928-44-5

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Basic Information
CAS No.: 1928-44-5
Name: Octyl (2,4-dichlorophenoxy)acetate
Molecular Structure:
Molecular Structure of 1928-44-5 (Octyl (2,4-dichlorophenoxy)acetate)
Formula: C16H22 Cl2 O3
Molecular Weight: 333.255
Synonyms: Aceticacid, (2,4-dichlorophenoxy)-, octyl ester (6CI,7CI,8CI,9CI); 2,4-D octyl ester;NSC 78930; Octyl 2,4-dichlorophenoxyacetate
EINECS: 217-674-9
Density: 1.151g/cm3
Boiling Point: 401.7°Cat760mmHg
Flash Point: 139.6°C
Solubility: 7.092mg/L(temperature not stated)
Hazard Symbols: Moderately toxic by ingestion and skin contact.
Safety: Moderately toxic by ingestion and skin contact. When heated to decomposition it emits toxic vapors of Cl−.
PSA: 35.53000
LogP: 5.27590
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Chemistry

Molecule structure of Octyl 2,4-dichlorophenoxyacetate (CAS NO.1928-44-5):

IUPAC Name: octyl 2-(2,4-Dichlorophenoxy)acetate 
Molecular Weight: 333.25008 g/mol
Molecular Formula: C16H22Cl2O3 
Density: 1.151 g/cm3 
Boiling Point: 401.7 °C at 760 mmHg 
Flash Point: 139.6 °C
Index of Refraction: 1.507
Molar Refractivity: 86.19 cm3
Molar Volume: 289.3 cm3
Polarizability: 34.16×10-24 cm3
Surface Tension: 37.9 dyne/cm 
Enthalpy of Vaporization: 65.28 kJ/mol
Vapour Pressure: 1.16E-06 mmHg at 25 °C
XLogP3: 6.6 
H-Bond Acceptor: 3
Rotatable Bond Count: 11
Exact Mass: 332.0946
MonoIsotopic Mass: 332.0946
Topological Polar Surface Area: 35.5
Heavy Atom Count: 21
Complexity: 287
Canonical SMILES: CCCCCCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI: InChI=1S/C16H22Cl2O3/c1-2-3-4-5-6-7-10-20-16(19)12-21-15-9-8-13(17)11-14(15)18/h8-9,11H,2-7,10,12H2,1H3
InChIKey: JWEDKKSQRXHXJD-UHFFFAOYSA-N
EINECS of Octyl 2,4-dichlorophenoxyacetate (CAS NO.1928-44-5): 217-674-9

Toxicity Data With Reference

1.    

orl-mus LD50:1200 mg/kg

     85GMAT    Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,95.
2.    

skn-rbt LDLo:2 g/kg

     85GMAT    Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,95.

Safety Profile

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

Specification

 Octyl 2,4-dichlorophenoxyacetate (CAS NO.1928-44-5) is also called 2,4-D Octyl ester ; 2,4-D-Octyl ester ; 2,4-D-octyl ; 2,4-Dichlorphenoxyacetic acid octyl ester ; 3-06-00-00706 (Beilstein Handbook Reference) ; AI3-16687 ; Acetic acid, 2,4-dichlorophenoxy-, octyl ester ; BRN 2336407 ; NSC 78930 ; Octyl ester of 2,4-D ; Oktylester 2,4-dichlorfenoxyoctove ; Oktylester 2,4-dichlorfenoxyoctove [Czech] .