4-Ethylphenol
ALDRICH/W315605 - ≥98%, FG
CAS Number: 123-07-9
Empirical Formula (Hill Notation): C8H10O
Molecular Weight: 122.16
EC Number: 204-598-6
MDL Number: MFCD00002393
Linear Formula: C2H5C6H4OH
Product Type: Chemical
| agency | follows IFRA guidelines |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| bp | 218-219 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| fragrance allergen | no known allergens |
| grade | FG |
| Fragrance grade | |
| Halal | |
| Kosher | |
| InChI | 1S/C8H10O/c1-2-7-3-5-8(9) |
| InChI key | HXDOZKJGKXYMEW-UHFFFAOYSA |
| mp | 40-42 °C (lit.) |
| organoleptic | smoky; phenolic |
| Quality Level | 400  |
| reg. compliance | EU Regulation 1223/2009 |
| EU Regulation 1334/2008 & 872/2012 | |
| SMILES string | CCc1ccc(O)cc1 |
| vapor density | 4.2 (vs air) |
| vapor pressure | 0.13 mmHg ( 20 °C) |
| Application: | 4-Ethylphenol is suitable for use in the determination of 4-ethylguaiacol and 4-ethylphenol in the aroma of red wines using headspace-solid-phase microextraction method. |
| Application: | 4-Ethylphenol may be used in the preparation of optically active 1-(4′-hydroxyphenyl)- ethanol, via hydroxylation by Pseudomonas putida and p-cresol methylhydroxylase. |
| General description: | 4-Ethylphenol (4-EP) is a para-substituted phenolic compound. It is one of the important aroma compounds in red wine. The aroma associated with 4-EP in red wine has been described as ′′horsy′′, ′′leather′′, ′′medicinal′′, ′′smoky′′, ′′barnyard′′, ′′animal′′ and ′′sweaty saddle′′-like. Production of 4-EP from p-coumaric acid in synthetic media utilizing several yeast species associated with wine production has been reported. Its electroactive center and oxidation pathways have been studied by voltammetric techniques at a glassy carbon electrode (GCE). Hydrogenolysis of lignin has been reported to form 3.1% of 4-EP. This method may be a potential alternative to the conventional petrochemical route of its synthesis. A sensor based on the molecularly imprinted nanoparticles to selectively detect 4-EP has been developed. The ability of polyaniline (PANI) materials and suberin extracted from cork in removing 4-EP from wine has been investigated. |
| General description: | 4-Ethylphenol is a volatile phenol. It has been synthesized from p-coumaric acid by employing a synthetic medium containing Dekkera bruxellensis ISA 1791. It has been identified as an aroma compound in red wine. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 10 kg in fiber drum |
| Symbol |  GHS05 |
| Signal word | Danger |
| Hazard statements | H318 |
| Precautionary statements | P280 - P305 + P351 + P338 |
| Hazard Codes | C |
| Risk Statements | 34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 2430 8 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 212.0 °F - closed cup |
| Flash Point(C) | 100 °C - closed cup |
| Purity | ≥98% |
| bp | 218-219 °C (lit.) |
| mp | 40-42 °C (lit.) |
| FEMA Number | 3156 |
| UNSPSC | 12164502 |