4-Hydroxybutyl (2,4-dichlorophenoxy)acetate
Basic information
- CAS
36227-43-7- Standard SMILES
O=C(COc1ccc(Cl)cc1Cl)OCCCCO- InChIKey
CTJHMNLYFUNLIM-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2O4
- Average molar mass
- 293.14 g/mol
- Monoisotopic mass
- 292.0269143
Names & identifiers
- Preferred name
- 4-Hydroxybutyl (2,4-dichlorophenoxy)acetate
- IUPAC
- 4-hydroxybutyl 2-(2,4-dichlorophenoxy)acetate
- English name
- 4-hydroxybutyl (2,4-dichlorophenoxy)acetate
- Molecular formula
- C12H14Cl2O4
- Molecular weight
- 293.14
Names & synonyms
36227-43-74-Hydroxybutyl (2,4-dichlorophenoxy)acetate6V5G2F5MHB4-hydroxybutyl 2,4-dichloro-phenoxyacetateEINECS 252-929-82,4-D butylglycol esterUNII-6V5G2F5MHBDTXSID10189779CTJHMNLYFUNLIM-UHFFFAOYSA-NNS000300023-hydroxybutyl 2-(2,4-dichlorophenoxy)acetateACETIC ACID, 2-(2,4-DICHLOROPHENOXY)-, 4-HYDROXYBUTYL ESTER
Show more names
(2,4-Dichlorophenoxy)acetic acid 4-hydroxybutyl ester
Database identifiers
- CAS
36227-43-7- PubChem CID
- 118930
- DTXSID
DTXSID10189779- UNII
- 6V5G2F5MHB
- EC Number
- 252-929-8
- Nikkaji
- J319.615A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 406.24 °C · 406.24°C (rough estimate)
- Density
- 1.3099 · 1.3099 (rough estimate)
- refractive index
- 1.511 · 1.5110 (estimate)
- pka
- 14.98 · 14.98±0.10(Predicted)
- FDA UNII
- 6 V5G2F5MHB · 6V5G2F5MHB
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…