S0563657
BritishPharmacopoeia(BP)ReferenceStandard , 103-82-2
Synonym(s):
α-Toluic acid;α-Tolylic acid;Benzeneacetic acid;PAA;Phenylacetic acid
CAS NO.：103-82-2
Empirical Formula: C8H8O2
Molecular Weight: 136.15
MDL number: MFCD00004313
EINECS: 203-148-6
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | 76-78 °C(lit.) |
| Boiling point: | 265 °C(lit.) |
| Density | 1.081 g/mL at 25 °C(lit.) |
| vapor density | ~4 (vs air) |
| vapor pressure | 1 mm Hg ( 97 °C) |
| FEMA | 2878 | PHENYLACETIC ACID |
| refractive index | 1.5120 (estimate) |
| Flash point: | 132°C |
| storage temp. | Store at RT. |
| solubility | DMF: 1 mg/ml; PBS (pH 7.2): 10 mg/ml |
| pka | 4.28(at 18℃) |
| color | Leaflets on distillation in vac; plates, tablets from pet ether |
| Specific Gravity | 1.081 |
| Odor | disagreeable odor of geranium |
| PH | 3.7(1 mM solution);3.17(10 mM solution);2.66(100 mM solution) |
| Odor Type | honey |
| Water Solubility | 15 g/L (20 ºC) |
| Merck | 14,7268 |
| JECFA Number | 1007 |
| BRN | 1099647 |
| Dielectric constant | 3.0（20℃） |
| Stability: | Stable. Incompatible with strong oxidizing agents. |
| LogP | 0.811 at 25℃ |
Description and Uses
Phenylacetic Acid is used in the synthesis of Diclofenac (D436450) and its metabolite 4'-Hydroxydiclofenac (H825225), which is the principal human metabolite of Diclofenac.
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H319 |
| Precautionary statements | P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39 |
| RIDADR | UN 3335 |
| WGK Germany | 1 |
| RTECS | AJ2430000 |
| F | 13 |
| TSCA | Yes |
| HS Code | 29163400 |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
