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IUPAC Name: 2-Ethylhexyl 2-(2,4-dichlorophenoxy)acetate
CAS: 25168-26-7
EINECS: 246-704-3
Product Categories: Pharmaceutical Raw Materials ; Alpha sort ;DA-DHEnvironmental Standards ; DAlphabetic ; Herbicides ; MetabolitesPesticides&Metabolites ; Pesticides&Metabolites ; Phenoxy structure .
Following is the Molecular Structure of Isooctyl-2,4-dichlorophenoxyacetate (25168-26-7):
SMILES: Clc1cc(Cl)ccc1OCC(=O)OCC(CC)CCCC
InChI: InChI=1/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3
InChIKey: QZSFJRIWRPJUOH-UHFFFAOYAH
Std.InChI: InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3
Std.InChIKey: QZSFJRIWRPJUOH-UHFFFAOYSA-N
Molecular Formula: C16H22Cl2O3
Molecular Weight: 333.25
Boiling Point: 396.9℃ at 760mmHg
Flash Point: 137℃
Molar Volume: 289.7cm3
Density: 1.15g/cm3
Index of Refraction: 1.506
Molar Refractivity: 86.15cm3
Surface Tension: 37.2dyne/cm
Polarizability: 34.15 10-24cm3
Enthalpy of Vaporization: 64.72kJ/mol
Vapour Pressure: 1.65E-06mmHg at 25℃
This chemical can be used as a herbicide.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | > 2gm/kg (2000mg/kg) | Fundamental and Applied Toxicology. Vol. 9, Pg. 423, 1987. | |
rat | LD50 | oral | 982mg/kg (982mg/kg) | Fundamental and Applied Toxicology. Vol. 9, Pg. 423, 1987. |
IARC Cancer Review: Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man.15, 1977,p.111.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .
Hazard Codes: T Toxic.
Risk Statements: 25-36/38-40
R25: Toxic if swallowed.
R36/38: Irritating to eyes and skin.
R40: Limited evidence of a carcinogenic effect.
Safety Statements: 26-36/37-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37: Wear suitable protective clothing and gloves.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
RIDADR: UN 2810
RTECS: AG8575000
HazardClass: 6.1(b)
PackingGroup: III
Moderately toxic by ingestion. Other experimental reproductive effects. Questionable carcinogen with experimental carcinogenic, tumorigenic, and teratogenic data. Human mutation data reported. An herbicide.
Isooctyl-2,4-dichlorophenoxyacetate (25168-26-7),which also can be called for 2,4-D Isooctyl ester ; 2-Ethyl-4-methylpentyl 2,4-dichlorophenoxyacetate ; Isooctyl-2,4-dichlorophenoxy acetate ; (2,4-Dichlorophenoxy)-aceticaciisooctylester ; (2,4-Dichlorophenoxy)-aceticaciisooctylester[qr] ; 2,4-Dichlorophenoxyaceticacid,isooctylester ; 2,4-Dichlorophenoxyaceticacidisooctylester ; 2,4-Dichlorophenoxyaceticacidisooctylester[qr] .When Isooctyl-2,4-dichlorophenoxyacetate (25168-26-7) was heated,it emits toxic fumes of Cl− . Isooctyl-2,4-dichlorophenoxyacetate (25168-26-7) is a white crystals in commerce, a brown or dark brown liquid and it's insoluble in water.