HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
7-Methylcumarin
7-methyl-coumari · 7-Methyl-2H-chromen-2-one · 7-METHYLCUMARIN · 7-METHYLCOUMARIN · METHYLCOUMARIN,7- · Coumarin, 7-methyl- · 7-Methylcoumarin>7-METHYLCOUMARIN, 98+% · METHYLCOUMARIN, 7-(RG)
Identifikatoren & physikalische Daten
| CAS No. | 2445-83-2 |
|---|---|
| Summenformel | C10H8O2 |
| Durchschnittliche Molmasse | 160,17 g/mol |
| Monoisotopische Masse | 160,0524295 g/mol |
| SMILES | Cc1ccc2ccc(=O)oc2c1 |
| InChIKey | DLHXRDUXNVEIEY-UHFFFAOYSA-N |
| PubChem CID | 17131 |
| ChEMBL | CHEMBL346541 |
| ChEBI | CHEBI:166605 |
| EC No. | 219-499-3 |
| DTXSID | DTXSID0062424 |
| Lokaler Name | 7-Methylcumarin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 220 |
| SpringerMaterials Properties | Chemical shift |
| Duftstoffe | Fragrance substance (7-Methylcoumarin) -> IFRA amendment 40 |
| Schmelzpunkt | 128-130 °C (lit.) |
| Siedepunkt | 171-172 °C/11 mmHg (lit.) |
| Dichte | 1.0924 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Lagerbedingungen | Store at -20°C |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
| Geruch | at 100.00 %. sweet coumarin tonka coconut powdery |
| Geruchsart | tonka |
| InChI | 1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3 |
| InChIKey | DLHXRDUXNVEIEY-UHFFFAOYSA-N |
| SMILES | Cc1ccc2C=CC(=O)Oc2c1 |
| LogP (Verteilungskoeffizient) | 2.274 (est) |
| CAS Datenbank | 2445-83-2(CAS DataBase Reference) |
| EPA chemische Informationen | 2H-1-Benzopyran-2-one, 7-methyl- (2445-83-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2H-1-Benzopyran-2-one, 7-methyl-2H-1-Benzopyran-2-one, 7-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Coumarins: Human health tier II assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2932209088 |
| RTECS-Nr. | GN7792100 |
| R-Sätze (R) | 23/24/25 |
| Toxizität | mouse,LD50,subcutaneous,258mg/kg (258mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Yakugaku Zasshi. Journal of Pharmacy. Vol. 76, Pg. 186, 1956. |
| Sicherheitshinweise (S) | 1-13-45 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
7-Methylcoumarin (cas# 2445-83-2) is a compound useful in organic synthesis.