4-hydroxyphenylethane
4-Ethylphenol
CAS: 123-07-9
Molecular Formula: C8H10O
4-hydroxyphenylethane - Names and Identifiers
| Name | 4-Ethylphenol |
| Synonyms | PEP P-ETHYLPHENOL 4-ethyl-pheno 4-Ethylphenol p-Ethylphenol P-Ethyl phenol 4-hydroxyphenylethane (4-Hydroxyphenyl)ethane (p-Hydroxyphenyl)ethane sodium 4-ethylphenolate 1-Hydroxy-4-ethylbenzene 1-Ethyl-4-hydroxybenzene |
| CAS | 123-07-9 |
| EINECS | 204-598-6 |
| InChI | InChI=1/C8H10O.Na/c1-2-7-3-5-8(9)6-4-7;/h3-6,9H,2H2,1H3;/q;+1/p-1 |
| InChIKey | HXDOZKJGKXYMEW-UHFFFAOYSA-N |
4-hydroxyphenylethane - Physico-chemical Properties
| Molecular Formula | C8H10O |
| Molar Mass | 122.16 |
| Density | 1,011 g/cm3 |
| Melting Point | 40-42°C(lit.) |
| Boling Point | 218-219°C(lit.) |
| Flash Point | 213°F |
| JECFA Number | 694 |
| Water Solubility | 4.9 g/L (25 ºC) |
| Solubility | 4.9g/l |
| Vapor Presure | 0.13 mm Hg ( 20 °C) |
| Vapor Density | 4.2 (vs air) |
| Appearance | White-like solid |
| Specific Gravity | 1.0123 (20℃) |
| Color | White to brownish |
| BRN | 1363317 |
| pKa | pK1:10.0 (25°C) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Stability | Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents. |
| Refractive Index | 1.5330 |
| MDL | MFCD00002393 |
| Physical and Chemical Properties | Colorless or white needle-like crystals, can be due to light and yellow. Strong wood-phenol flavor, with slightly sweet aroma. Melting point 41~43 °c, boiling point 218~219 °c, flash point 100 °c. Relative density (d420)1.011, refractive index (nD25)1.5239. Slightly soluble in water, soluble in ethanol, ether, acetone, benzene and carbon disulfide. Natural products are found in egg nuts, cranberry, pork, rum, alcohol, coffee, etc. |
| Use | Is an important pesticide intermediates, can produce a series of high-grade, low toxicity, low residue pesticides |
4-hydroxyphenylethane - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 2430 8/PG 3 |
| WGK Germany | 3 |
| RTECS | SL4040000 |
| TSCA | Yes |
| HS Code | 29071900 |
| Hazard Class | 8 |
| Packing Group | III |
4-hydroxyphenylethane - Reference
| Reference Show more | 1. [IF=7.514] Huipin Li et al."Enrichment of antioxidants from soy sauce using macroporous resin and identification of 4-ethylguaiacol, catechol, daidzein, and 4-ethylphenol as key small molecule antioxidants in soy sauce."Food Chem. 2018 Feb;240:885 |
4-hydroxyphenylethane - Reference Information
| FEMA | 3156 | P-ETHYLPHENOL |
| LogP | 2.1 at 20℃ and pH7 |
| surface tension | 54mN/m at 998g/L and 22 ℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| use limit | FEMA(mg/kg): baked goods, margarine, 0.20. |
| use | GB 2760-1996 specified as allowed food spices. It is used to prepare flavors such as tanken, rum, smoked pork, ham, coffee, etc. is an important pesticide intermediate, which can produce a series of high-grade, low-toxicity, low-residue pesticides |
| Production method | It is obtained by the catalytic reaction of phenol and ethylene or ethanol. It is obtained by the heating reaction of 4-chloroethylbenzene and sodium hydroxide under the catalysis of copper powder. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:47
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