Oxacycloheptadecan-2-on
Hexadecanolide
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Grundinformationen
- CAS
109-29-5- Standard-SMILES
O=C1CCCCCCCCCCCCCCCO1- InChIKey
LOKPJYNMYCVCRM-UHFFFAOYSA-N- Summenformel
- C16H30O2
- Durchschnittliche Molmasse
- 254,41 g/mol
- Monoisotopische Masse
- 254,2245802
Überblick
16-Hexadecanolide is a macrolide.
Namen und Bezeichner
- Bevorzugter Name
- Hexadecanolide
- IUPAC
- oxacycloheptadecan-2-one
- Lokaler Name
- Oxacycloheptadecan-2-on
- Englischer Name
- 16-HEXADECANOLIDE
- Summenformel
- C16H30O2
- Molmasse
- 254.41
Namen und Synonyme
109-29-5OXACYCLOHEPTADECAN-2-ONECyclohexadecanolidehexadecanolactoneHexadecanolideJuniperic acid lactone16-Hexadecanolactone1,16-HexadecanolideDTXSID4047622NSC-3354664E2HO00C7DTXCID2027622
Weitere Namen anzeigen
juniper musconeCYCLOHEXADECENOLIDENSC 33546BRN 0148631
RefChem:786039203-662-016-HexadecanolideDihydroambrettolide1-oxacycloheptadecan-2-one1,16-Hexadecanolactone16-Hydroxyhexadecanoic acid lactoneMFCD00039668
Datenbank-Bezeichner
- CAS
109-29-5- PubChem CID
- 7984
- DTXSID
DTXSID4047622- ChEMBL
CHEMBL3189021- ChEBI
CHEBI:179821- UNII
- 64E2HO00C7
- EC Number
- 203-662-0
- Nikkaji
- J65.679H
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 6,3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 201
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
CosmeticsCosmetics ingredient -> Fragrance
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Hexadecanolide) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Schmelzpunkt
- 34 · 34-38 °C(lit.)
- Siedepunkt
- 188 °C · 188 °C / 15mmHg
- Dichte
- 0.94 · 0.94
- Brechungsindex
- 20 · n20/D1.4680-1.4730
- Flammpunkt
- 100 °C · >100°C
- storage temp.
- -20 °C · -20°C
- Aggregatzustand
- solid
- Farbe
- Crystals from EtOH
- Geruch (Odor)
- musky odor
- Biologische Quelle
- synthetic
- Geruchsart
- musk
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 148631 · 148631
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- Major Application
- flavors and fragrances
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMINGFRAGRANCE
- InChI
- 1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2
- InChIKey
- LOKPJYNMYCVCRM-UHFFFAOYSA-N
- SMILES
- O=C1OCCCCCCCCCCCCCCC1
- LogP
- 7.3 at · 7.3 at 20℃
- CAS Datenbank
- 109 · 109-29-5(CAS DataBase Reference)
- EPA chemische Informationen
- -2 · Oxacycloheptadecan-2-one (109-29-5)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 86.3% (271 of 314) of all reports.
Warning
H315 (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.
Gefahrenhinweise
Regulatory Information
Chemical: Oxacycloheptadecan-2-one
Hazard Traits - Fragrance Allergen
Commission 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/24078
Oxacycloheptadecan-2-one: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Oxacycloheptadecan-2-one: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (13.7%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 2932.99.9090
- RTECS-Nr.
- RN9730000
- risk_code
- 38
- Toxizität
- CYCLOHEXADECANOLIDE DIHYDROAMBRETTOLIDE 1,16-HEXADECANOLACTONE HEXADECANOLIDE 16-HYDROXYHEXADECANOIC ACID LACTONE JUNIPERIC ACID LACTONE
- hazard_code
- Xi
- safety_code
- 37
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 75,044 lb
Consumer UsesFragrance
Industry UsesFragrance
Household Products
Cosmetics product ingredient: Oxacyclohepta-decan-2-one (Hexadecanolactone)
Information on 2 consumer products that contain Hexadecanolactone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Oxacycloheptadecan-2-one: ACTIVE
Anwendungen
OccurrenceHas apparently not been reported to occur in nature.
Verwenden16-Hexadecanolide is used in the manfacturing of perfumes. It acts as masking agents.
Darstellung
synthetischeBy the persulphuric acid (or other peracid) oxidation of cyclohexadecanone.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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