HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylanisol
1-METHOXY-3-METHYLBENZENE · M-METHOXYTOLUENE · M-METHYLANISOLE · 3-METHOXYTOLUENE · AMBROL · 3-MEHYLANISOLE · m-methyl-anisol · 3-Methoxtoluene
Identifikatoren & physikalische Daten
| CAS No. | 100-84-5 |
|---|---|
| Summenformel | C8H10O |
| Durchschnittliche Molmasse | 122,16 g/mol |
| Monoisotopische Masse | 122,07316494 g/mol |
| SMILES | COc1cccc(C)c1 |
| InChIKey | OSIGJGFTADMDOB-UHFFFAOYSA-N |
| PubChem CID | 7530 |
| ChEMBL | CHEMBL349791 |
| ChEBI | CHEBI:167079 |
| EC No. | 202-893-4 |
| DTXSID | DTXSID2051500 |
| Lokaler Name | 3-Methylanisol |
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 | 80,6 |
| Stoffklassen | Other Classes -> Ethers, Other |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Dampfdruck | 1.5 [mmHg] |
| Physical Description | Colorless liquid with a pleasant odor[Alfa Aesar MSDS] |
| Schmelzpunkt | -47°C |
| Siedepunkt | 175-176 °C (lit.) |
| Dichte | 0.969 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.513(lit.) |
| FEMA | 2681 | P-METHYLANISOLE |
| Flammpunkt | 130 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | liquid |
| Farbe | Colorless to light yellow |
| Geruch | narcissus |
| Geruchsart | floral |
| Geruchsschwelle | 0.0021ppm |
| Löslichkeit | Soluble in alcohol and insoluble in water. |
| BRN | 907023 |
| Dielektrizitätskonstante | 4.0800000000000001 |
| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3 |
| InChIKey | OSIGJGFTADMDOB-UHFFFAOYSA-N |
| SMILES | COc1cccc(C)c1 |
| LogP (Verteilungskoeffizient) | 2.660 |
| CAS Datenbank | 100-84-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-methoxy-3-methyl-(100-84-5) |
| EPA chemische Informationen | Benzene, 1-methoxy-3-methyl- (100-84-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1-methoxy-3-methyl- |
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) > 500 mg/kg[RTECS] An irritant[Alfa Aesar MSDS] See Anisole and 1-Methoxy-4-methylbenzene. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29093090 |
| RTECS-Nr. | BZ8778000 |
| R-Sätze (R) | 10-22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 16-23-24/25 |
| Gefahrenklasse | 3Acute Tox. 4 OralFlam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Methylanisole, is widely used in chemical reaction as intermediates to obtain target materials such as dyes, pharmaceuticals, perfumes, photo initiators and agrochemicals. It is also used as a solvent and in perfumery.