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Anteisoheptadecanoic acid
ANTEISO C17 ACID · 14-methyl Palmitic Acid · 14-Methylhexadecanoic acid · ANTEISO-HEPTADECANOIC ACID · Hexadecanoic acid, 14-methyl- · 14-Methylhexadecanoic acid, anteiso C17 Fatty acid
Identifikatoren & physikalische Daten
| CAS No. | 5746-59-8 |
|---|---|
| Summenformel | C17H34O2 |
| Durchschnittliche Molmasse | 270,5 g/mol |
| Monoisotopische Masse | 270,25588032 g/mol |
| SMILES | CCC(C)CCCCCCCCCCCCC(=O)O |
| InChIKey | FXUKWLSZZHVEJD-UHFFFAOYSA-N |
| PubChem CID | 22207 |
| ChEBI | CHEBI:84874 |
| EC No. | 637-371-9 |
| DTXSID | DTXSID60974612 |
Chemische & physikalische Eigenschaften
| XLogP | 6,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 14 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 201 |
| Schmelzpunkt | 39.5 - 40 °C36.8 °C |
| Physical Description | Solid |
| Siedepunkt | 358.05°C (estimate) |
| Dichte | 0.8791 (rough estimate) |
| Brechungsindex | 1.4405 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform: Soluble,Ethanol: Soluble,Ether: Soluble |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
| Biologische Quelle | synthetic (organic) |
| InChI | 1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19) |
| InChIKey | FXUKWLSZZHVEJD-UHFFFAOYSA-N |
| SMILES | CCC(C)CCCCCCCCCCCCC(O)=O |
| LogP (Verteilungskoeffizient) | 7.500 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.WarningH315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 40 reports by companies.There are 2 notifications provided by 39 of 40 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.5%)Eye Irrit. 2 (97.5%)STOT SE 3 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
14-methyl Palmitic acid is a methylated fatty acid that has been found in bacteria, bovine milk fat, Aegean jellyfish (A. aurita), and one-humped camel (C. dromedarius) meat and fat. It is also found in human breast milk and levels are decreased in mature breast milk compared to colostrum. 14-methyl Palmitic acid is produced in Florida manatee (T. manatus latirostris) liver in response to brevetoxin exposure. [Matreya, LLC. Catalog No. 1616]