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4-Methylnonan-1-sure
FEMA 3574 · Nonanoic acid, 4-methyl- · Ai3-30047 · Fema no. 3574 · FEMA NUMBER 3574 · Einecs 256-180-8 · 4-methyl-nonanoicaci · 4-Methylnonan-1-sure
Identifikatoren & physikalische Daten
| CAS No. | 45019-28-1 |
|---|---|
| Summenformel | C10H20O2 |
| Durchschnittliche Molmasse | 172,26 g/mol |
| Monoisotopische Masse | 172,14632988 g/mol |
| SMILES | CCCCCC(C)CCC(=O)O |
| InChIKey | WQTZCQIRCYSUBQ-UHFFFAOYSA-N |
| PubChem CID | 62003 |
| ChEBI | CHEBI:179535 |
| EC No. | 256-180-8 |
| DTXSID | DTXSID80866121 |
| Lokaler Name | 4-Methylnonan-1-sure |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 121 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102] |
| SpringerMaterials Properties | Density |
| Duftstoffe | Fragrance Ingredient (4-Methylnonanoic acid) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.900-0.909 (20 °C/20 °C)0.871 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in water(in ethanol)Chloroform (Slightly), Methanol (Slightly) |
| Siedepunkt | 292.00 to 293.00 °C. @ 760.00 mm Hg292-293 °C292-293 °C (lit.) |
| Brechungsindex | 1.433-1.44n20/D 1.4355(lit.) |
| Physical Description | colourless to pale yellow liquid with a costus, animal odour |
| FEMA | 3574 | 4-METHYLNONANOIC ACID |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 4.80±0.10(Predicted) |
| Geruch | at 1.00 % in propylene glycol. meaty pork lamb chicken |
| Geruchsart | meaty |
| Biologische Quelle | synthetic |
| JECFA Number | 274 |
| BRN | 1758201 |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) |
| InChIKey | WQTZCQIRCYSUBQ-UHFFFAOYSA-N |
| SMILES | CCCCCC(C)CCC(O)=O |
| LogP (Verteilungskoeffizient) | 3.78 |
| CAS Datenbank | 45019-28-1(CAS DataBase Reference) |
| EPA chemische Informationen | Nonanoic acid, 4-methyl- (45019-28-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1447) of reports.WarningH315 (91.4%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 1447 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Nonanoic acid, 4-methyl-Regulation (EC) No 1831/2003 (amended)Nonanoic acid, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (91.4%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 2915.90.1800 |
| R-Sätze (R) | 34-43-52/53 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1BSkin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Occurrence
Reported found in cooked mutton fat, romano cheese, sheep and goat cheese and raw and cooked mutton