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8-Methylnonanoic acid
Isocapric Acid · UNII:LW5786QCKT · ISODECANOIC ACID · 8-METHYLNONANOIC ACID · 8-Methylpelargonic acid · Nonanoic acid, 8-methyl- · 8-Methylnonanoic acid,97% · 8-METHYLNONANOIC ACID 97%
Identifikatoren & physikalische Daten
| CAS No. | 26403-17-8 |
|---|---|
| Summenformel | C10H20O2 |
| Durchschnittliche Molmasse | 172,26 g/mol |
| Monoisotopische Masse | 172,14632988 g/mol |
| SMILES | CC(C)CCCCCCC(=O)O |
| InChIKey | OAOABCKPVCUNKO-UHFFFAOYSA-N |
| PubChem CID | 111470 |
| ChEBI | CHEBI:176811 |
| EC No. | 247-673-9 |
| DTXSID | DTXSID1067207 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 119 |
| Stoffklassen | Other Classes -> Organic Acids |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102] |
| Physical Description | Clear liquid[ExxonMobil MSDS] |
| Schmelzpunkt | 15-19 °C |
| Siedepunkt | 118-120 °C (2 mmHg) |
| Dichte | 0.9047 (rough estimate) |
| Brechungsindex | 1.433-1.435 |
| Lagerbedingungen | −20°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
| Farbe | Clear colorless to yellow |
| InChI | InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) |
| InChIKey | OAOABCKPVCUNKO-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCCC(C)C |
| CAS Datenbank | 5963-14-4 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH315 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Isodecanoic acidIsodecanoic acid: 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. |
| Gefahrenübersicht | An eye irritant that may cause injury on prolonged contactHigh vapor concentrations cause eye and respiratory tract irritationAn aspiration hazard by ingestion (may cause lung injury)[ExxonMobil MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (66.7%) |
| Zollcode | 29159000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26 |
Anwendungen & Verwendung
Beschreibung
Isodecanoic acid is produced by oxidizing the mixture of aldehydes obtained from tripropylene in the oxo process. It is used in drying agents, PVC stabilizers, and alkyd resins; the copper salt is a wood preservative. Isodecanoic acid may be replaced by versatic acid 10 or neodecanoic acid.
Verwenden
Intermediate for metal salts, ester type lubricants, plasticizers.