HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylcyclopentadecan-1-on
Musk · FEMA 3434 · Muskone · (R)-(-)-Muscone · DL-MUSCONE · (±)-Muscone · 3-METHYL-1-CYCLOPENTADECANONE · MUSCONE
Identifikatoren & physikalische Daten
| CAS No. | 541-91-3 |
|---|---|
| Summenformel | C16H30O |
| Durchschnittliche Molmasse | 238,41 g/mol |
| Monoisotopische Masse | 238,22966558 g/mol |
| SMILES | CC1CCCCCCCCCCCCC(=O)C1 |
| InChIKey | ALHUZKCOMYUFRB-UHFFFAOYSA-N |
| PubChem CID | 10947 |
| EC No. | 208-795-8 |
| DTXSID | DTXSID8052192 |
| Lokaler Name | 3-Methylcyclopentadecan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 6,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 198 |
| Stoffklassen | Other Classes -> Other Organic Compounds |
| Duftstoffe | Fragrance Ingredient (3-Methyl-1-cyclopentadecanone) -> IFRA transparency List |
| Geruch | Powerful soft, sweet animal musk |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.9921 g/cu cm @ 17 °C0.9221 |
| Color/Form | YELLOW |
| Löslichkeit | Very soluble in acetone, ethyl ether, and ethanolvery slightlySoluble in oilsSlightly soluble in waterSoluble (in ethanol)Chloroform, Methanol (Sparingly)430μg/L at 20℃ |
| Siedepunkt | 329 °C130 °C @ 0.5 mm HgColorless liquids with boiling points that increase regularly with increasing molecular weight. Virtually all members of the series exhibit characteristic odor depending on the ring size. /Cycloaliphatic ketones/320.00 to 329.00 °C. @ 760.00 mm Hg95°C/0.1mmHg(lit.) |
| Schmelzpunkt | 8.60 °C. @ 760.00 mm Hg-15°C(lit.) |
| Brechungsindex | Index of refraction= 1.4802 @ 17 °C/D1.4770 to 1.4810 |
| Physical Description | LiquidClear viscous oil with pleasant musky fragrance[MSDSonline]Colourless or opaque crystalline massSoft, sweet, tenacious musk aroma |
| Collision Cross Section | 161.17 Ų [M+H]+ [CCS Type: TWBuffer gas: N2Ionization: GC-APCI+] |
| Dampfdruck | 0.041Pa at 25℃ |
| FEMA | 3434 | 3-METHYL-1-CYCLOPENTADECANONE |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Colorless oil. |
| Farbe | Colourless |
| Geruch | at 10.00 % in dipropylene glycol. sweet musk animal powdery fatty natural |
| Geruchsart | musk |
| Biologische Quelle | mouse |
| Merck | 14,6313 |
| JECFA Number | 1402 |
| Hauptanwendungen | food and beverages |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3 |
| InChIKey | ALHUZKCOMYUFRB-UHFFFAOYSA-N |
| SMILES | O=C1CC(CCCCCCCCCCCC1)C |
| LogP (Verteilungskoeffizient) | 6.06 at 25℃ |
| CAS Datenbank | 541-91-3(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclopentadecanone, 3-methyl-(541-91-3) |
| EPA chemische Informationen | Cyclopentadecanone, 3-methyl- (541-91-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 99.7% (1559 of 1564) of all reports.Not ClassifiedAggregated GHS information provided per 1564 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclopentadecanone, 3-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Cyclopentadecanone, 3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentadecanone, 3-methyl- 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: 01-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18970Cyclopentadecanone, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Cyclopentadecanone, 3-methyl-: Human health tier I assessment |
| Gefahrenübersicht | Safe when used as a flavoring agent in food[JECFA] Causes change in righting reflex and convulsions after intraperitoneal, lethal-dose studies in mice[RTECS] Emergency treatment: Ketones[HSDB] |
| FDA-Anforderungen | Musk used as spices, seasonings, essential oils, oleoresins, and natural extracts in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Musk/Certain other spices, seasonings, essential oils, oleoresins, and natural extracts that are generally recognized as safe for their intended use, within the meaning of section 409 of the act. Musk is included on this list. /Musk/ |
| Hazard Classes and Categories | Not Classified |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
Anwendungen & Verwendung
Occurrence
Reported found in natural musk
Verwenden
Muscone protects PC12 cells against glutamate-induced apoptosis.
Herstellung & Synthese
synthetische
From condensation of dodecamethyl-ene-α,ω-dimethylketone hexadecane.