2-(2,4-Dichlorophenoxy)butylacetate

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)

The Butyl dichlorophenoxyacetate, with the CAS registry number 94-80-4, is also known as Acetic acid, 2-(2,4-dichlorophenoxy)-, butyl ester. It belongs to the product categories of Pharmaceutical Raw Materials; Herbicide; Phenoxy structure Method Specific; 2000/60/EC; Alphabetic; B; BI-BZEnvironmental Standards; European Community: ISO and DIN; Herbicides; MetabolitesPesticides&Metabolites; Pesticides&Metabolites. Its EINECS registry number is 202-364-8. Its IUPAC name is called butyl 2-(2,4-dichlorophenoxy)acetate. This chemical's classification codes are Agricultural Chemical; Growth regulator / Fertilizer; Herbicide; Reproductive Effect; Tumor data. The storage store of this chemical should close containers in a cool, dry, well-ventilated area and avoid exposure to direct sunlight.

Physical properties of Butyl dichlorophenoxyacetate: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 994.57; (6)ACD/BCF (pH 7.4): 994.57; (7)ACD/KOC (pH 5.5): 4867.53; (8)ACD/KOC (pH 7.4): 4867.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 67.66 cm³; (14)Molar Volume: 223.3 cm³; (15)Surface Tension: 39.3 dyne/cm; (16)Density: 1.24 g/cm³; (17)Flash Point: 132 °C; (18)Enthalpy of Vaporization: 58.78 kJ/mol; (19)Boiling Point: 343.9 °C at 760 mmHg; (20)Vapour Pressure: 6.81E-05 mmHg at 25°C.

Preparation: First, the chlorination of phenol can generate 2,4 - dichlorophenol. Then, it neutralizes with the alkaline solution and react with sodium chloroacetate, the product is 2,4-D sodium salt.Finally, it then proceed esterification with the alcohol. At last, it will generate Butyl dichlorophenoxyacetate.

Uses of Butyl dichlorophenoxyacetate: It can be used as agricultural herbicides. It also can be used as broad spectrum, hormone-type herbicides which has a good systemic pesticide. Typically used for paddy and wheat fields, main use it to prevent and kill off formulations gramineous crop field of dicotyledonous weeds, heterosexual sally families and some malignant weeds such as Monochoria grass, Potamogeton, small triangular grass, Polygonum, Alopecurus, ragweed, wild amaranth, quinoa and so on.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may present an immediate or delayed danger to one or more components of the environment. It is harmful if swallowed. In addition, it may cause sensitisation by skin contact. This chemical is very toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves. If swallowed, you must seek medical advice immediately and show this container or label. This material and its container must be disposed of as hazardous waste. What's more, you should avoid releasing it to the environment. When you will use it, please refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
(2)InChI: InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
(3)InChIKey: UQMRAFJOBWOFNS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	oral	780mg/kg (780mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 29, 1982.
mouse	LD50	oral	425mg/kg (425mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 29, 1982.
mouse	LD50	unreported	380mg/kg (380mg/kg)		Hygiene and Sanitation Vol. 31(7-9), Pg. 383, 1966.
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)		Fundamental and Applied Toxicology. Vol. 9, Pg. 423, 1987.
rat	LD50	oral	600mg/kg (600mg/kg)		Fundamental and Applied Toxicology. Vol. 9, Pg. 423, 1987.
rat	LD50	unreported	920mg/kg (920mg/kg)		Hygiene and Sanitation Vol. 31(7-9), Pg. 383, 1966.