Completing data — usually done within a minute
Basic information
- CAS
94-80-4- Standard SMILES
CCCCOC(=O)COc1ccc(Cl)cc1Cl- InChIKey
UQMRAFJOBWOFNS-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2O3
- Average molar mass
- 277.147 g/mol
- Monoisotopic mass
- 276.03199967
Names & identifiers
- Preferred name
- 2,4-D Butyl ester
- IUPAC
- Butyl (2,4-dichlorophenoxy)acetate
- English name
- Butyl 2,4-dichlorophenoxyacetate
- Molecular formula
- C12H14Cl2O3
- Molecular weight
- 277.14
Names & synonyms
2,4-D butylateBUTYL 2-(2,4-DICHLOROPHENOXY)ACETATE2,4-D BUTYL ESTER2.4-D-1-butyl2,4-D-1-BUTYL ESTER2,4-D 1-butyl ester,2,4-D 1-butyl ester, Butyl 2,4-dichlorophenoxyacetateshell40SiarkolButaponLIRONOX
Database identifiers
- CAS
94-80-4- PubChem CID
- 7206
- DTXSID
DTXSID5020443- ChEMBL
CHEMBL1446511- UNII
- 6GO3LVR34R
- EC Number
- 202-364-8
- Nikkaji
- J11.270D
Properties
Physicochemical properties
- Melting point
- 9 °C · 9°C
- Boiling point
- 146 · 146-147°C
- Density
- 1.2639 · 1.2639 (rough estimate)
- refractive index
- 1.5209 · 1.5209 (estimate)
- storage temp.
- 0 · 0-6°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- color
- Colourless
- Water Solubility
- 0.1 g/100 · <0.1 g/100 mL at 21 ºC
- BRN
- 2056085 · 2056085
- Henry's Law Constant
- 2 · 2.0×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Major Application
- agricultureenvironmental
- 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 · 94-80-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 GO3LVR34R · 6GO3LVR34R
- NIST Chemistry Reference
- Butyl (2,4-dichlorophenoxy)acetate(94-80-4)
- EPA Substance Registry System
- 2 · 2,4-D butyl ester (94-80-4)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
Safety & regulation
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- AG8050000
- ridadr
- UN 3082
- Toxicity
- LD50 oral in rat: 600mg/kg
- risk_code
- 22-43-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn;N,N,Xn
- safety_code
- 26-29-36/37-46-60-61
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H302-H317-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1
- Precautionary statements
- P261-P264-P273-P280-P301+P312-P302+P352
- Hazardous Substances Data
- 94-80-4(Hazardous Substances Data)
Chemistry & industry
Applications
Uses2,4-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.
General DescriptionClear colorless to light brown liquid.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…