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Methylundecanoat
methyl n-undecanoate · Methylundecylate · Methyl undecanate · UNDECANOIC METHYL · METHYL UNDECANOATE · C11:0 METHYL ESTER · methyln-undecanoate · RARECHEM AL BF 0156
Identifikatoren & physikalische Daten
| CAS No. | 1731-86-8 |
|---|---|
| Summenformel | C12H24O2 |
| Durchschnittliche Molmasse | 200,32 g/mol |
| Monoisotopische Masse | 200,17763 g/mol |
| SMILES | CCCCCCCCCCC(=O)OC |
| InChIKey | XPQPWPZFBULGKT-UHFFFAOYSA-N |
| PubChem CID | 15607 |
| ChEBI | CHEBI:87527 |
| EC No. | 217-053-2 |
| DTXSID | DTXSID3061922 |
| Lokaler Name | Methylundecanoat |
Chemische & physikalische Eigenschaften
| XLogP | 5,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 132 |
| Kovats Retention Index | 14101407141114221419142014061414140514081404.81409.81421.51422.51427142914321427.81430169417031710166516951699173216721686.71696.61701.81704.61705.71706.61711.61728.7 |
| Schmelzpunkt | -10°C |
| Siedepunkt | 247-249 °C |
| Dichte | 0.872 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.429(lit.) |
| Flammpunkt | 109°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Soluble in ethanol, and ether. Insoluble in water. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to pale yellow |
| Geruch | at 100.00 %. fatty waxy fruity |
| Geruchsart | waxy |
| BRN | 1762129 |
| InChI | 1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3 |
| InChIKey | XPQPWPZFBULGKT-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCC(=O)OC |
| LogP (Verteilungskoeffizient) | 4.861 (est) |
| CAS Datenbank | 1731-86-8(CAS DataBase Reference) |
| EPA chemische Informationen | Methyl undecanoate (1731-86-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 77.8% (7 of 9) of all reports.DangerH318 (22.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 7 of 9 reports by companies.There is 1 notification provided by 2 of 9 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Undecanoic acid, methyl esterUndecanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Undecanoic acid, methyl ester: Human health tier I assessmentEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Eye Dam. 1 (22.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29159000 |
| RTECS-Nr. | YQ2573000 |
| R-Sätze (R) | 41 |
| Toxizität | mouse,LDLo,intravenous,48mg/kg (48mg/kg),Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966. |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 23-24/25-39-26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Dam. 1 |
Anwendungen & Verwendung
Verwenden
Methyl undecanoate is used as plasticizer in polymers. It is used as fragrance agent in aroma and flavor Chemicals.