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 |
| form | solid |
| pka | 4.28(at 18℃) |
| Specific Gravity | 1.081 |
| color | Leaflets on distillation in vac; plates, tablets from pet ether |
| Odor | disagreeable odor of geranium |
| PH | 3.7(1 mM solution);3.17(10 mM solution);2.66(100 mM solution) |
| biological source | synthetic |
| 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. |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) |
| InChIKey | WLJVXDMOQOGPHL-UHFFFAOYSA-N |
| SMILES | OC(=O)Cc1ccccc1 |
| LogP | 0.811 at 25℃ |
| CAS DataBase Reference | 103-82-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzeneacetic acid(103-82-2) |
| EPA Substance Registry System | Phenylacetic acid (103-82-2) |
Description and Uses
Phenylacetic Acid is a flavoring agent that is crystalline (white, glis- tening), with unpleasant, persisting odor resembling geranium leaf and rose when diluted. it is soluble in most fixed oils and glycerin, slightly soluble in water, and insoluble in mineral oil. it is obtained by chemical synthesis. it is also termed a-toluic acid.
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H319 |
| Precautionary statements | P305+P351+P338 |
| PPE | dust mask type N95 (US), Eyeshields, Gloves |
| 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 | TSCA listed |
| HS Code | 29163400 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 |
| Hazardous Substances Data | 103-82-2(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
