Basic information
- CAS
3966-11-8- Standard SMILES
CCCCOCC(C)OC(=O)COc1ccc(Cl)cc1Cl- InChIKey
WMEYEJLFPRLQAP-UHFFFAOYSA-N- Molecular formula
- C15H20Cl2O4
- Average molar mass
- 335.2 g/mol
- Monoisotopic mass
- 334.0738645
Names & identifiers
- Preferred name
- 2,4-d 2-Butoxyisopropyl ester
- IUPAC
- 1-butoxypropan-2-yl 2-(2,4-dichlorophenoxy)acetate
- English name
- 2,4-Dichlorophenoxyacetic acid 2-butoxy-1-methylethyl ester
- Molecular formula
- C15H20Cl2O4
- Molecular weight
- 335.23
Names & synonyms
2,4-D 2-butoxyisopropyl ester3966-11-8O7G01T4LIC2-Butoxy-1-methylethyl (2,4-dichlorophenoxy)acetateUNII-O7G01T4LICJ8.282ADTXSID10413422,4-DICHLOROPHENOXYACETIC ACID 2-BUTOXY-1-METHYLETHYL ESTER2-Propanol, 1-butoxy-, (2,4-dichlorophenoxy)acetate2,4-D, 2-BUTOXYMETHYLETHYL ESTERAcetic acid, (2,4-dichlorophenoxy)-, 2-butoxy-1-methylethyl esterEPA PESTICIDE CHEMICAL CODE 030076
Show more names
ACETIC ACID, 2-(2,4-DICHLOROPHENOXY)-, 2-BUTOXY-1-METHYLETHYL ESTERRefChem:82225DTXCID9021342SCHEMBL3500118NS001139731-Butoxypropan-2-yl (2,4-dichlorophenoxy)acetate(1-methyl-2-butoxy)ethyl 2,4-dichloro-phenoxyacetateQ27285432
Database identifiers
- CAS
3966-11-8- PubChem CID
- 19862
- DTXSID
DTXSID1041342- UNII
- O7G01T4LIC
- Nikkaji
- J8.282A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 451.39 °C · 451.39°C (rough estimate)
- Density
- 1.2109 · 1.2109 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- FDA UNII
- 7 G01T4LIC · O7G01T4LIC
- EPA Substance Registry System
- 2 · 2,4-D 2-butoxyisopropyl ester (3966-11-8)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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