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HCID 7984Erstellt: 23. Oktober 2026

Oxacycloheptadecan-2-on

HEXADECANOLIDE · HEXADECANOLACTONE · cyclohexadecanolide · DIHYDROAMBRETTOLIDE · OXACYCLOHEPTADECAN-2-ONE · 16-hexadecanolactone · juniper muscone · CYCLOHEXADECENOLIDE

https://huagongshe.com/de/chemical/7984

Molekülstruktur von Oxacycloheptadecan-2-on

Identifikatoren & physikalische Daten

CAS No.109-29-5
SummenformelC16H30O2
Durchschnittliche Molmasse254,41 g/mol
Monoisotopische Masse254,2245802 g/mol
SMILESO=C1CCCCCCCCCCCCCCCO1
InChIKeyLOKPJYNMYCVCRM-UHFFFAOYSA-N
PubChem CID7984
ChEMBLCHEMBL3189021
ChEBICHEBI:179821
EC No.203-662-0
DTXSIDDTXSID4047622
Lokaler NameOxacycloheptadecan-2-on

Chemische & physikalische Eigenschaften

XLogP6,3
Polarare Oberfläche (TPSA)26,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen0
Schwere Atome18
Formalladung0
Komplexität201
LipideFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
KosmetikaCosmetics ingredient -> Fragrance
SpringerMaterials PropertiesBoiling point
DuftstoffeFragrance Ingredient (Hexadecanolide) -> IFRA transparency List
AromastoffeEU Flavoring substances
Physical DescriptionLiquid
Schmelzpunkt34-38 °C(lit.)
Siedepunkt188 °C / 15mmHg
Dichte0.94
Brechungsindexn20/D1.4680-1.4730
Flammpunkt>100°C
Lagerbedingungen-20°C
Aggregatzustandsolid
FarbeCrystals from EtOH
Geruchmusky odor
Biologische Quellesynthetic
Geruchsartmusk
LöslichkeitInsoluble in water.
BRN148631
StabilitätStable. Combustible. Incompatible with strong oxidizing agents.
Hauptanwendungenflavors and fragrances
Kosmetik-Inhaltsstoffe FunktionenPERFUMINGFRAGRANCE
InChI1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2
InChIKeyLOKPJYNMYCVCRM-UHFFFAOYSA-N
SMILESO=C1OCCCCCCCCCCCCCCC1
LogP (Verteilungskoeffizient)7.3 at 20℃
CAS Datenbank109-29-5(CAS DataBase Reference)
EPA chemische InformationenOxacycloheptadecan-2-one (109-29-5)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 86.3% (271 of 314) of all reports.WarningH315 (13.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 314 reports by companies from 4 notifications to the ECHA C&L Inventory.
Regulatorische InformationenChemical: Oxacycloheptadecan-2-oneHazard Traits - Fragrance AllergenCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Oxacycloheptadecan-2-one is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxacycloheptadecan-2-one 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: 20-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24078Oxacycloheptadecan-2-one: Does not have an individual approval but may be used under an appropriate group standard
Weitere SicherheitsinformationenIMAP assessments - Oxacycloheptadecan-2-one: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (13.7%)
Wassergefährdungsklasse (WGK)2
TSCA-Inventar-StatusTSCA listed
Zollcode2932.99.9090
RTECS-Nr.RN9730000
R-Sätze (R)38
ToxizitätCYCLOHEXADECANOLIDE DIHYDROAMBRETTOLIDE 1,16-HEXADECANOLACTONE HEXADECANOLIDE 16-HYDROXYHEXADECANOIC ACID LACTONE JUNIPERIC ACID LACTONE
GefahrensymboleXi
Sicherheitshinweise (S)37
Lagerklasse11 - Combustible Solids

Anwendungen & Verwendung

Occurrence

Has apparently not been reported to occur in nature.

Verwenden

16-Hexadecanolide is used in the manfacturing of perfumes. It acts as masking agents.

Herstellung & Synthese

synthetische

By the persulphuric acid (or other peracid) oxidation of cyclohexadecanone.