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Methyl linoleate
LINOLEIC ACID METHYL ESTER · cis-9,cis-12-octadecadienoic acid methyl ester · methyl linolate · 9,12-Octadecadienoicacid(Z,Z)-,methylester · FEMA 3411 · methyllinolate · (Z,Z)-9,12-octadecadienoic acid methyl ester · Methyl(Z,Z)-9,12-octadecadienate
Identifikatoren & physikalische Daten
| CAS No. | 112-63-0 |
|---|---|
| Summenformel | C19H34O2 |
| Durchschnittliche Molmasse | 294,5 g/mol |
| Monoisotopische Masse | 294,25588033 g/mol |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC |
| InChIKey | WTTJVINHCBCLGX-NQLNTKRDSA-N |
| PubChem CID | 5284421 |
| ChEMBL | CHEMBL3183866 |
| ChEBI | CHEBI:69080 |
| EC No. | 203-993-0 |
| DTXSID | DTXSID7020843 |
Chemische & physikalische Eigenschaften
| XLogP | 6,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 15 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 279 |
| Kosmetika | EmollientSkin conditioning |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (Methyl linoleate) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 6.82 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 373.00 to 374.00 °C. @ 760.00 mm Hg192 °C/4 mmHg (lit.) |
| Schmelzpunkt | -35 °C-35 °C (lit.) |
| Physical Description | Liquid |
| Collision Cross Section | 183.18 Ų [M-H]- [CCS Type: DTMethod: stepped-field]186 Ų [M+H]+ |
| Dichte | 0.889 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.462(lit.) |
| FEMA | 3411 | METHYL LINOLEATE (48%) METHYL LINOLENATE (52%) MIXTURE |
| Flammpunkt | 200°C |
| Lagerbedingungen | -20°C |
| Löslichkeit | Soluble in DMF, fat solvents, oils. |
| Aggregatzustand | Liquid |
| Farbe | Colourless |
| Wichte | 0.88 |
| Geruch | at 100.00 %. oily fatty woody |
| Geruchsart | oily |
| Merck | 14,6095 |
| JECFA Number | 346 |
| BRN | 1727614 |
| Henry-Konstante | 6.2×10-2 mol/(m3Pa) at 25℃, Krop and Velzen (1997) |
| Dielektrizitätskonstante | 3.2000000000000002 |
| Stabilität | Light Sensitive |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING - EMOLLIENTPERFUMINGSKIN CONDITIONING |
| InChI | 1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10- |
| InChIKey | WTTJVINHCBCLGX-NQLNTKRDSA-N |
| SMILES | CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC |
| LogP (Verteilungskoeffizient) | 7.64 |
| CAS Datenbank | 112-63-0(CAS DataBase Reference) |
| EPA chemische Informationen | Methyl linoleate (112-63-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for > 99.9% (1563 of 1564) of all reports.Not ClassifiedAggregated GHS information provided per 1564 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 9,12-Octadecadienoic acid, (Z,Z)-, methyl esterMethyl linoleate: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 9,12-Octadecadienoic acid, (Z,Z)-, methyl ester: Human health tier I assessment |
| Hazard Classes and Categories | Not Classified |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1206 3/PG 2 |
| Zollcode | 29161500 |
| R-Sätze (R) | 11-38-50/53-65-67 |
| Gefahrensymbole | F,Xn,N |
| Sicherheitshinweise (S) | 23-24/25-62-61-60-33-29-16-9 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
Reported found in banana, grape, grapefruit juice, melon, strawberries, mushroom and cassava.
Verwenden
Methyl Linoleate is a common methyl ester produced from soybean or canola oil and methanol. Methyl Linoleate is classified as a biodiesel due to its long methyl ester chain and is used as a fuel in st andard diesel engines.