Identifikatoren & physikalische Daten
| CAS No. | 112-39-0 |
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| Summenformel | C17H34O2 |
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| Durchschnittliche Molmasse | 270,5 g/mol |
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| Monoisotopische Masse | 270,25588033 g/mol |
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| SMILES | CCCCCCCCCCCCCCCC(=O)OC |
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| InChIKey | FLIACVVOZYBSBS-UHFFFAOYSA-N |
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| PubChem CID | 8181 |
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| ChEMBL | CHEMBL335125 |
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| ChEBI | CHEBI:69187 |
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| EC No. | 203-966-3 |
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| DTXSID | DTXSID4029149 |
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Chemische & physikalische Eigenschaften
| XLogP | 7,9 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 15 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 190 |
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| Stoffklassen | Biological Agents -> Plant Oils and Extracts |
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| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
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| Kosmetika | Skin conditioningEmollient |
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| SpringerMaterials Properties | Boiling point |
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| Duftstoffe | Fragrance Ingredient (Methyl hexadecanoate) -> IFRA transparency List |
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| LogP (Verteilungskoeffizient) | log Kow= 7.38 |
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| Aromastoffe | EU Flavoring substances |
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| Color/Form | Colorless liq |
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| Löslichkeit | Insol in watervery sol in ethyl alc, acetonesol in etherInsoluble in water, soluble in alcohol and ether |
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| Siedepunkt | 417 °C |
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| Schmelzpunkt | 30 °C |
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| Dampfdruck | 0.0000604 [mmHg]6.04X10-5 @ 25 °C |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 5.9% (99 of 1667) of reports.WarningH315 (82.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1667 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Hexadecanoic acid, methyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Hexadecanoic acid, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecanoic acid, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 27-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/15817Methyl palmitate: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Hexadecanoic acid, methyl ester: Human health tier I assessment |
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| Gefahrenübersicht | May cause irritation[MSDSonline] |
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| Hazard Classes and Categories | Skin Irrit. 2 (82.7%) |
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| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
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| Körperbelastung | Methyl palmitate was detected in thrombogenic coronary plaques in 2 of 2 human aortas samples at 9 and 120 ppb(1). |
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| Wechselwirkungen | METHYL PALMITATE, AN INHIBITOR OF RETICULOENDOTHELIAL SYSTEM (RES) FUNCTION, INHIBITED BOTH THE RES FUNCTION & SERUM LYSOZYME INCREASES WHEN ADMIN TO GLUCAN TREATED MICE. |
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