HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
10-Undecenal
ALDEHYDE C-11 UNDECYLENIC · INTRELEVEN ALDEHYDE · UNDECYLENIC ALDEHYDE · 10-UNDECENYL ALDEHYDE · FEMA 2363 · HENDECENAL · 9-UNDECENAL · 10-UNDECEN-1-AL
Identifikatoren & physikalische Daten
| CAS No. | 112-45-8 |
|---|---|
| Summenformel | C11H20O |
| Durchschnittliche Molmasse | 168,28 g/mol |
| Monoisotopische Masse | 168,15141526 g/mol |
| SMILES | C=CCCCCCCCCC=O |
| InChIKey | OFHHDSQXFXLTKC-UHFFFAOYSA-N |
| PubChem CID | 8187 |
| ChEMBL | CHEMBL3185269 |
| ChEBI | CHEBI:125536 |
| EC No. | 203-973-1 |
| DTXSID | DTXSID3037757 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 108 |
| Lipide | Fatty Acyls [FA] -> Fatty aldehydes [FA06] |
| SpringerMaterials Properties | Optical coefficient |
| Duftstoffe | Fragrance Ingredient (10-Undecenal) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.840-0.8500.84 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | 30 mg/L @ 20 °C (exp)soluble in propylene glycol and most fixed oilsinsoluble in glycerol and water(in ethanol)Chloroform (Sparingly), Ethyl Acetate (Slightly) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 98.00 to 100.00 °C. @ 3.00 mm Hg235 °C98-100 °C3 mm Hg(lit.) |
| Brechungsindex | 1.441-1.447n20/D 1.4427(lit.) |
| Physical Description | Liquidcolourless to light yellow liquid with a fatty, rose-like odour on dilution |
| Schmelzpunkt | 7°C |
| Dampfdichte | >1 (vs air) |
| Dampfdruck | 8.7Pa at 25℃ |
| FEMA | 3095 | 10-UNDECENAL |
| Flammpunkt | 199 °F |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 0[at 20 ℃] |
| Aggregatzustand | Crystals or Crystalline Powder |
| Farbe | White |
| Wichte | 0.84 |
| Geruch | at 1.00 % in dipropylene glycol. waxy aldehydic rose mandarin citrus soapy fatty |
| Geruchsart | aldehydic |
| Biologische Quelle | synthetic |
| JECFA Number | 330 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | FRAGRANCEPERFUMING |
| InChI | 1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2 |
| InChIKey | OFHHDSQXFXLTKC-UHFFFAOYSA-N |
| SMILES | [H]C(=O)CCCCCCCCC=C |
| LogP (Verteilungskoeffizient) | 4.672 at 25℃ |
| CAS Datenbank | 112-45-8(CAS DataBase Reference) |
| NIST chemische Informationen | 10-Undecenal(112-45-8) |
| EPA chemische Informationen | 10-Undecenal (112-45-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1818 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: 10-UndecenalRegulation (EC) No 1831/2003 (amended)10-Undecenal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 10-Undecenal 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: 28-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/1273710-Undecenal: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (97.2%)Flammable liquids - Category 4 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | NA1993 |
| Zollcode | 29121900 |
| RTECS-Nr. | YQ2835000 |
| R-Sätze (R) | 38-10 |
| Toxizität | rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 11, Pg. 479, 1973. |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-37/39-26 |
| Gefahrenklasse | CBLAquatic Chronic 3Skin Irrit. 2Skin Sens. 1B |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
Reported found in coriander leaf (Coriandrum sativum L.).
Verwenden
10-Undecylenic Aldehyde is derived from the reduction of Undecylenic Acid (U788820) which is used for the manufacture of pharmaceuticals, cosmetics and perfumery, including antidandruff shampoos, antimicrobial powders and as a musk in perfumes and aromas.
Herstellung & Synthese
synthetische
By oxidation of the corresponding alcohol or reduction of the corresponding acid; by passing vapors of formic acid and undecylenic acid over TiO2 at 250°C under pressure; by passing vapors of undecylenic acid and methanol over a manganese dioxidebased catalyst; or by reduction of ethyl undecylenate with lithium hydride and sodium in tetrahydrofuran solution at very low temperature (–50°C).