Basic information
- CAS
53404-37-8- Standard SMILES
CCC(COC(=O)COc1ccc(Cl)cc1Cl)CC(C)C- InChIKey
FWXSAXJNSVIOLZ-UHFFFAOYSA-N- Molecular formula
- C16H22Cl2O3
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 332.0945999
Overview
Sweet smelling liquid.
Names & identifiers
- Preferred name
- 2,4-D 2-Ethyl-4-methylpentyl ester
- IUPAC
- (2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetate
- English name
- 2,4-D, 2-ethyl-4-methylpentyl ester.
- Molecular formula
- C16H22Cl2O3
- Molecular weight
- 333.25
Names & synonyms
2,4-D 2-ethyl-4-methylpentyl ester53404-37-8Caswell No. 315AT2,4-D 2 ethyl-4-methylpentyl esterEPA Pesticide Chemical Code 0300646L8R243O1O2-ETHYL-4-METHYLPENTYL (2,4-DICHLOROPHENOXY)ACETATEAcetic acid, (2,4-dichlorophenoxy)-, 2-ethyl-4-methylpentyl esterIsooctyl(2-ethyl-4-methylpentyl) 2,4-dichlorophenoxyacetateDTXSID20346792,4-Dichlorophenoxyacetic acid isooctyl(2-ethyl-4-methylpentyl) esterACETIC ACID, 2-(2,4-DICHLOROPHENOXY)-, 2-ETHYL-4-METHYLPENTYL ESTER
Show more names
2,4-D, 2-ethyl-4-methylpentyl ester.(2-ethyl-4-methyl-pentyl) 2-(2,4-dichlorophenoxy)acetate
RefChem:443100DTXCID0014679(2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetateUNII-6L8R243O1O2-Ethyl-4-methylpentyl 2,4-dichlorophenoxyacetateSCHEMBL29729468NS00121482Q27265094
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
Physical DescriptionSweet smelling liquid.
Physicochemical properties
- FDA UNII
- 6 L8R243O1O · 6L8R243O1O
- EPA Substance Registry System
- 2 · 2,4-D 2-ethyl-4-methylpentyl ester (53404-37-8)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
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 and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Chemistry & industry
Applications
General DescriptionSweet smelling liquid.
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
常州禾捷化工有限公司—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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