Phenoxyacetic Acid Phenoxyacetic Acid
Structural formula
| Business number | 03F7 |
|---|---|
| Molecular formula | C8H8O3 |
| Molecular weight | 152 |
| label |
phenoxyacetic acid, Phenoxyacetic acid, phenoxyacetic acid, Phenoxyacetic acid, AKOS BBS-00003724, Glycolic acid phenyl ether |
Numbering system
CAS number:122-59-8
MDL number:MFCD00004296
EINECS number:204-556-7
RTECS number:AJ2230000
BRN number:907949
PubChem ID:None
Physical property data
1. Character: White needle-shaped crystal
2 Flash Point (℃): 165
3 Melting point (℃):98-101
4 Boiling point ( ºC): 285
5 Water-soluble (g/100mL,°C）：0.1-0.5
Toxicological data
1, acute toxicity: rat oral LD50: 1500mg/kg
Rat transperitoneal cavity LD50: 323mg/kg
Mouse oral LD50: 3750mg/kg
Mice were injected intravenously with LD50: 1gm/kg
Rabbit oral LD50: >200mg/kg
Rabbit skinLD50：>5gm/kg
Guinea pigs have no reported exposure route LD50: 1400mg/kg
2, other multiple dose toxicity: rat oral TDLO: 910mg/kg/26W-I
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 39.12
2. Molar volume（m3/ mol）：124.5
3. isotonic ratio（90.2K）：325.5
4. Surface tension（dyne/cm）：46.6
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 15.51
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 127
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Basic properties
White needle-like crystals. 1g of product is soluble in about 75ml of water, and is easily soluble in ethanol, ether, benzene, carbon disulfide and glacial acetic acid. Melting point 98℃. Boiling point 285°C (partially decomposed). The median lethal dose (rabbit, oral) is >200mg/kg. Irritating.
Storage method
2. Storage:
Stored sealed in a cool, dry place.
Synthesis method
3. Brief description of production methods
Phenoxyacetic acid is produced by condensation of phenol and chloroacetic acid in an alkaline solution and then acidification.
Purpose
IV. Uses
This product is an intermediate of herbicides, plant hormones and central nervous system stimulants, and is also a reagent for the determination of thorium. Industrial products are used in fungicides, keratin exfoliants, as intermediates for dyes, pesticides and other organic substances. Condiments, laboratory reagents. It is a pioneer in antibiotic fermentation and pharmaceutical industry for cephalosporin and chlorfenac, especially penicillin V.It is an intermediate of biological hormones and central nervous system stimulants, and is also a reagent for the determination of thorium. Industrial products are used in fungicides, keratin exfoliants, as intermediates for dyes, pesticides and other organic substances. Condiments, laboratory reagents. It is a pioneer in antibiotic fermentation and pharmaceutical industry for cephalosporin and chlorfenac, especially penicillin V.