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2-Hexyldecansure
ISOPALMITIC ACID · JARIC I-16 · JARICTM I-16 · ISOPALMIC ACID · 2-Hexyldecansure · Hexyldecanoicacid · 2-hexyldecansaeure · c16guerbetfattyacid
Identifikatoren & physikalische Daten
| CAS No. | 25354-97-6 |
|---|---|
| Summenformel | C16H32O2 |
| Durchschnittliche Molmasse | 256,42 g/mol |
| Monoisotopische Masse | 256,24023026 g/mol |
| SMILES | CCCCCCCCC(CCCCCC)C(=O)O |
| InChIKey | JMOLZNNXZPAGBH-UHFFFAOYSA-N |
| PubChem CID | 32912 |
| ChEMBL | CHEMBL3182660 |
| ChEBI | CHEBI:135056 |
| EC No. | 246-885-9 |
| DTXSID | DTXSID7044893 |
| Lokaler Name | 2-Hexyldecansure |
Chemische & physikalische Eigenschaften
| XLogP | 6,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 13 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 190 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102] |
| Kosmetika | CleansingSurfactantEmulsifying |
| SpringerMaterials Properties | Density |
| Collision Cross Section | 176.7 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7044893] |
| Schmelzpunkt | 10°C |
| Siedepunkt | 165-168°C 2mm |
| Dichte | 0,88 g/cm3 |
| Dampfdruck | 0Pa at 20℃ |
| Brechungsindex | 1.4460 |
| Flammpunkt | 174°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | 4.90±0.40(Predicted) |
| Farbe | White or Colorless to Light yellow to Light orange |
| Löslichkeit | 70.83μg/L at 20℃ |
| Merck | 14,4709 |
| BRN | 1777217 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | SURFACTANT - CLEANSINGSURFACTANT - EMULSIFYINGCLEANSING |
| InChI | 1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18) |
| InChIKey | JMOLZNNXZPAGBH-UHFFFAOYSA-N |
| SMILES | CCCCCCCCC(CCCCCC)C(O)=O |
| LogP (Verteilungskoeffizient) | 6.21 at 25℃ |
| CAS Datenbank | 25354-97-6(CAS DataBase Reference) |
| EPA chemische Informationen | Decanoic acid, 2-hexyl- (25354-97-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 498 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: 2-hexyldecanoic acid (EC: 246-885-9)Decanoic acid, 2-hexyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29159000 |
| RTECS-Nr. | HD9750000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 2Skin Irrit. 2Skin Sens. 1B |
Anwendungen & Verwendung
Verwenden
2-Hexyldecanoic Acid is used in preparation of cationic lipid; pharmaceutical compound and treatment agent containing lipid and siRNA for suppressing expression of hepatitis B virus gene.