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3-Ethylphenol
M-ETHYLPHENOL · Phenol, 3-ethyl- · m-ethyl-pheno · 3-ethyl-pheno · M-ElhylPhenol · 3-ETHYLPHENOL · Phenol,3-ethyl- · meta-ethylphenol
Identifikatoren & physikalische Daten
| CAS No. | 620-17-7 |
|---|---|
| Summenformel | C8H10O |
| Durchschnittliche Molmasse | 122,16 g/mol |
| Monoisotopische Masse | 122,07316494 g/mol |
| SMILES | CCc1cccc(O)c1 |
| InChIKey | HMNKTRSOROOSPP-UHFFFAOYSA-N |
| PubChem CID | 12101 |
| ChEMBL | CHEMBL58052 |
| ChEBI | CHEBI:34332 |
| EC No. | 210-627-3 |
| DTXSID | DTXSID0022480 |
| Lokaler Name | 3-Ethylphenol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 80,6 |
| Stoffklassen | Other Classes -> Phenols |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (3-Ethylphenol) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | Log Kow = 2.40 |
| Dichte | 1.0283 @ 20 °C/4 °C1.001 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Color/Form | COLORLESS LIQUID |
| Löslichkeit | SLIGHTLY SOLUBLE IN WATER, CHLOROFORMVERY SOLUBLE IN ALCOHOL, ETHERSlightly soluble in water. |
| Siedepunkt | 218.4 °C @ 760 MM HG212 °C750 mm Hg(lit.) |
| Schmelzpunkt | -4 °C |
| Dampfdruck | 0.05 [mmHg]0.05 mm Hg at 25 °C |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Brechungsindex | n20/D 1.533(lit.) |
| Flammpunkt | 202 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | pK1:10.07 (25°C) |
| Farbe | Colorless to Light orange to Yellow |
| Geruch | musty |
| Geruchsart | musty |
| BRN | 1857002 |
| Henry-Konstante | 4.9×100 mol/(m3Pa) at 25℃, Karl et al. (2003) |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3 |
| InChIKey | HMNKTRSOROOSPP-UHFFFAOYSA-N |
| SMILES | CCc1cccc(O)c1 |
| LogP (Verteilungskoeffizient) | 2.400 |
| CAS Datenbank | 620-17-7(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Ethylphenol(620-17-7) |
| EPA chemische Informationen | m-Ethylphenol (620-17-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (39%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 200 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 3-ethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Phenol, 3-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 3-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Phenol, 3-ethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Ethylphenols: Human health tier II assessment |
| Gefahrenübersicht | An irritant[MSDSonline] See Phenol. |
| Hazard Classes and Categories | Acute Tox. 3 (39%)Acute toxicity - category 4Acute toxicity (Oral) - Category 4 |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Umweltverhalten | TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 480(SRC), determined from a measured log Kow(2) and a recommended regression-derived equation(3), indicates that 3-ethylphenol will have moderate mobility in soil(SRC). Based on limited data, biodegradation of this compound is likely. A system where water was passed through contaminated soil (initial 3-ethylphenol concn = 73 ug/L) and then through a upflow aerated column was capable of 93% removal in 37 days(4). 3-Ethylphenol's measured and estimated values for vapor pressure(5) and Henry's Law constant(6,SRC), respectively, indicate that volatilization from dry and moist soil surfaces is possible, but will not be a major fate process for this compound(SRC). |
Anwendungen & Verwendung
Verwenden
It is used as a photographic chemical intermediate and an intermediate for the cyan coupler of photographic paper. It has a wide application in fragrance industry.