HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Kresol-methylether
MSO · 1-METHOXY-4-METHYLBENZENE · PARA CRESYL METHYL ETHER · P-CRESYL METHYL ETHER · P-METHYLANISOLE · FEMA 2681 · P-CRESOL METHYL ETHER · 4-METHOXYTOLUENE
Identifikatoren & physikalische Daten
| CAS No. | 104-93-8 |
|---|---|
| Summenformel | C8H10O |
| Durchschnittliche Molmasse | 122,16 g/mol |
| Monoisotopische Masse | 122,07316494 g/mol |
| SMILES | COc1ccc(C)cc1 |
| InChIKey | CHLICZRVGGXEOD-UHFFFAOYSA-N |
| PubChem CID | 7731 |
| ChEMBL | CHEMBL154155 |
| ChEBI | CHEBI:89728 |
| EC No. | 203-253-7 |
| DTXSID | DTXSID9026710 |
| Lokaler Name | p-Kresol-methylether |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 72 |
| Schmelzpunkt | -32°C |
| Siedepunkt | 174 °C(lit.) |
| Dichte | 0.969 g/mL at 25 °C(lit.) |
| Dampfdruck | 5.25 mm Hg ( 50 °C) |
| Brechungsindex | n20/D 1.511(lit.) |
| FEMA | 2681 | P-METHYLANISOLE |
| Flammpunkt | 128 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Soluble), Ethyl Acetate (Slightly)slightly soluble |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Geruch | at 1.00 % in dipropylene glycol. naphthyl cresol ylang powdery nutty |
| Geruchsart | naphthyl |
| Biologische Quelle | synthetic |
| Explosionsgrenze | 1.1-8.3%(V) |
| Geruchsschwelle | 0.0012ppm |
| JECFA Number | 1243 |
| BRN | 1237336 |
| Henry-Konstante | 2.1×10-3 mol/(m3Pa) at 25℃, HSDB (2015) |
| Dielektrizitätskonstante | 4.0300000000000002 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Combustible. |
| Hauptanwendungen | cleaning productscosmeticsfood and beveragespersonal care |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3 |
| InChIKey | CHLICZRVGGXEOD-UHFFFAOYSA-N |
| SMILES | COc1ccc(C)cc1 |
| LogP (Verteilungskoeffizient) | 2.74-2.8 at 25-35℃ |
| CAS Datenbank | 104-93-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-methoxy-4-methyl-(104-93-8) |
| EPA chemische Informationen | p-Methylanisole (104-93-8) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 1 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29093090 |
| RTECS-Nr. | BZ8780000 |
| R-Sätze (R) | 22-38-10-52/53-63 |
| Toxizität | The acute oral LD50 in rats was reported as 1.92 (1.51-2.45) g/kg (Hart, 1971). The acute dermal LD50 in rabbits was reported as > 5 g/kg (Hart, 1971). |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37-16-61 |
| Gefahrenklasse | 3Acute Tox. 4 OralFlam. Liq. 3Repr. 2Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 104-93-8(Hazardous Substances Data) |
Anwendungen & Verwendung
Beschreibung
p-Methylanisole has a pungent odor suggestive of ylang-ylang. May be prepared by methylation of p-cresol.
Occurrence
Reported found in the oils of ylang-ylang, cananga and flowers of Mimusops elengi L. Also reported found in tomato, blue and Camembert cheese, starfruit, buckwheat, rooibus tea (Aspalathus linearis) and tapereba (Spondias lutea).
Verwenden
4-Methylanisole was used to prepare 5-methoxy-1,8-dimethyltetralin. It was also used as the solubilizate molecule to study the site of incorporation of solubilizates in sodium dodecyl sulfate (SDS) micellar systems.
Herstellung & Synthese
synthetische
By methylation of p-cresol.