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| Name |
2,4-D isooctyl ester |
EINECS | 246-704-3 |
| CAS No. | 25168-26-7 | Density | 1.15 g/cm3 |
| PSA | 35.53000 | LogP | 5.13180 |
| Solubility | <0.1 g/100 mL at 21 ºC in water | Melting Point |
12oC |
| Formula | C16H22 Cl2 O3 | Boiling Point | 396.9 °C at 760 mmHg |
| Molecular Weight | 333.2501 | Flash Point | 48 ºC |
| Transport Information | UN 2810 | Appearance | White crystals in commerce, a brown or dark brown liquid. |
| Safety | Moderately toxic by ingestion. Other experimental reproductive effects. Questionable carcinogen with experimental carcinogenic, tumorigenic, and teratogenic data. Human mutation data reported. An herbicide. When heated to decomposition it emits toxic fumes of Cl−. | Risk Codes | R25;R36/38;R40 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
Aceticacid, (2,4-dichlorophenoxy)-, isooctyl ester (6CI,8CI,9CI); Isooctyl alcohol,(2,4-dichlorophenoxy)acetate (8CI); 2,4-D ester; 2,4-D isooctyl ester;2,4-Dichlorophenoxyacetic acid isooctyl ester; Agro-D-Ester; Agroxone 5;Esteron; Isooctyl 2,4-dichlorophenoxyacetate; Silvapron D |
2,4-D isooctyl ester Chemical Properties
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℃
2,4-D isooctyl ester Uses
This chemical can be used as a herbicide.
2,4-D isooctyl ester Toxicity Data With Reference
| 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. |
2,4-D isooctyl ester Consensus Reports
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) .
2,4-D isooctyl ester Safety Profile
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.
2,4-D isooctyl ester Specification
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.
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