ChemicalBook--->CAS DataBase List--->94-80-4

94-80-4

94-80-4 Structure

94-80-4 Structure
IdentificationMore
[Name]

Butyl 2,4-dichlorophenoxyacetate
[CAS]

94-80-4
[Synonyms]

2,4-D-1-BUTYL ESTER
2,4-Dbutyl
2,4-D BUTYL ESTER
(2,4-DICHLOROPHENOXY)ACETIC ACID, BUTYL ESTER
2,4-PA-BUTYL
BUTYL 2-(2,4-DICHLOROPHENOXY)ACETATE
BUTYL 2,4-DICHLOROPHENOXYACETATE
IFLAB-BB F2111-0001
LIRONOX
LIRONOX(R)
(2,4-dichlorophenoxy)-aceticacibutylester
(2,4-dichlorophenoxy)-aceticacibutylester[qr]
1-methylpropyl(2,4-dichlorophenoxy)ethanoate
2,4-d,n-butylester
2,4-dbe
2,4-dbe[qr]
2,4-d-butyl[qr]
2,4-Dichlorophenoxyacetic acid n-butyl ester
2,4-dichlorophenoxyaceticacidbutylester[qr]
2,4-dichlorophenoxyaceticacidn-butylester
[EINECS(EC#)]

202-364-8
[Molecular Formula]

C12H14Cl2O3
[MDL Number]

MFCD00126845
[Molecular Weight]

277.14
[MOL File]

94-80-4.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

9°C
[Boiling point ]

146-147°C
[density ]

1.2639 (rough estimate)
[refractive index ]

1.5209 (estimate)
[storage temp. ]

0-6°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

neat
[color ]

Colourless
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Water Solubility ]

<0.1 g/100 mL at 21 ºC
[BRN ]

2056085
[Henry's Law Constant]

2.0×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[Major Application]

agriculture
environmental
[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
[InChIKey]

UQMRAFJOBWOFNS-UHFFFAOYSA-N
[SMILES]

CCCCOC(=O)COc1ccc(Cl)cc1Cl
[CAS DataBase Reference]

94-80-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Butyl (2,4-dichlorophenoxy)acetate(94-80-4)
[EPA Substance Registry System]

94-80-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn;N,N,Xn
[Risk Statements ]

R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S29:Do not empty into drains .
S36/37:Wear suitable protective clothing and gloves .
S46:If swallowed, seek medical advice immediately and show this container or label .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3082
[WGK Germany ]

3
[RTECS ]

AG8050000
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Skin Sens. 1
[Hazardous Substances Data]

94-80-4(Hazardous Substances Data)
[Toxicity]

LD50 oral in rat: 600mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium chloroacetate-->sodium 2,4-dichlorophenolate-->butyl bromoacetate-->2,4-D-METHYL ESTER-->Butyl 2-chloroacetate-->Phenol-->1-Butanol-->2,4-Dichlorophenol-->Methyl phenoxyacetate
[Preparation Products]

2,4-Dichlorophenoxybutyric acid
Hazard InformationBack Directory
[General Description]

Clear colorless to light brown liquid.
[Reactivity Profile]

2,4-D, N-BUTYL ESTER(94-80-4) is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

Flash point data for this chemical are not available. 2,4-D, N-BUTYL ESTER is probably combustible.
[Chemical Properties]

colourless liquid
[Uses]

2,4-D-1-butyl ester may be used as a reference standard for the determination of 2,4-D-1-butyl ester in soil samples by capillary high performance liquid chromatography with ultraviolet detection.
[Production Methods]

The commercial production of 2,4-D-butyl ester begins with purified 2,4-D acid, obtained via the standard phenoxyacetic acid route. The free acid is dissolved in water or a mixed solvent and then neutralised with butanol under controlled pH and temperature, forming the butyl ester.
[Mechanism of action]

Selective, systemic, absorbed through roots and increases biosynthesis and production of ethylene causing uncontrolled cell division and so damages vascular tissue. Synthetic auxin.
[Pesticide Type]

Herbicide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Butyl 2,4-dichlorophenoxyacetate(94-80-4).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Butyl 2,4-dichlorophenoxyacetate(94-80-4)MS
Butyl 2,4-dichlorophenoxyacetate(94-80-4)1HNMR
Butyl 2,4-dichlorophenoxyacetate(94-80-4)13CNMR
Butyl 2,4-dichlorophenoxyacetate(94-80-4)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

94-80-4(sigmaaldrich)
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