Grundinformationen
- CAS
33204-74-9- Standard-SMILES
C=C(C)C1CC(=O)C2(C)OC2C1- InChIKey
YGMNGQDLUQECTO-UHFFFAOYSA-N- Summenformel
- C10H14O2
- Durchschnittliche Molmasse
- 166,22 g/mol
- Monoisotopische Masse
- 166,09937969
Überblick
(1xi,4xi,6xi)-Carvone oxide is an oxacycle.
Namen und Bezeichner
- Bevorzugter Name
- Carvone oxide
- IUPAC
- 1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
- Lokaler Name
- 1-Methyl-4-(1-methylvinyl)-7-oxabicyclo[4.1.0]heptan-2-on
- Englischer Name
- 1-methyl-4-(1-methylvinyl)-7-oxabicyclo[4.1.0]heptan-2-one
- Summenformel
- C10H14O2
- Molmasse
- 166.22
Namen und Synonyme
33204-74-9Carvone oxide7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-DTXSID708656687-Oxabicyclo(4.1.0)heptan-2-one, 1-methyl-4-(1-methylethenyl)-RefChem:1081272DTXCID20217850Carvone Epoxide1-METHYL-4-(PROP-1-EN-2-YL)-7-OXABICYCLO[4.1.0]HEPTAN-2-ONE1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one4-Isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptan-2-one(1xi,4xi,6xi)-Carvone oxide
Weitere Namen anzeigen
carvon-1,2-oxide1,6-Epoxy-p-mentha-8-ene-2-one.delta.8-p-Menthenyl-1,6-epoxy-2-one2-Methyl-2,3-epoxy-5-isopropenylcyclohexane-1-one2,3-epoxy-2-methyl-5-(1-methylethenyl)-cyclohexanone7-Oxabicyclo4.1.0heptan-2-one, 1-methyl-4-(1-methylethenyl)-
1-Carvone oxide1-METHYL-4-(1-METHYLVINYL)-7-OXABICYCLO[4.1.0]HEPTAN-2-ONE(+)-Carvone epoxideCarvone-5,6-oxide1-Methyl-4-(1-methylvinyl)-7-oxabicyclo(4.1.0)heptan-2-oneUNII-1PW5U5978EEINECS 251-405-6delta8-p-Menthenyl-1,6-epoxy-2-one
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 29,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 257
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance substance (Carvone oxide) -> IFRA amendment 38
Physikochemische Eigenschaften
- Siedepunkt
- 120 · 120-122 °C(Press: 15 Torr)
- Dichte
- 1.033 g/cm3 · 1.033 g/cm3(Temp: 22 °C)
- Geruch (Odor)
- 100 % · at 100.00 %. minty spearmint
- Geruchsart
- minty
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- LogP
- 2.534 · 2.534 (est)
- EPA chemische Informationen
- 7 · 7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)- (33204-74-9)
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 234 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
7-Oxabicyclo4.1.0heptan-2-one, 1-methyl-4-(1-methylethenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1B (100%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
IFRA Fragrance Standards
Carvone oxide
Carvone epoxide; 1,6-Epoxy-p-menth-8-en-2-one; 1-Methyl-4-(1-methylvinyl)-7-oxabicyclo[4.1.0]heptan-2-one; 7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-
IFRA_STD_120.pdf
38
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient
General Manufacturing Information7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-: INACTIVE
Anwendungen
OccurrenceReported found in Valerian root oil CO2 extract, China (0.14%).
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