1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalin-8(5H)-on
1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
Grundinformationen
- CAS
23787-90-8- Standard-SMILES
CC1(C)C2CCC3(C2)C1C(=O)CCC3(C)C- InChIKey
VCOCESNMLNDPLX-UHFFFAOYSA-N- Summenformel
- C15H24O
- Durchschnittliche Molmasse
- 220,35 g/mol
- Monoisotopische Masse
- 220,18271539
Überblick
Isolongifolanone has been reported in Artemisia annua with data available.
Namen und Bezeichner
- Bevorzugter Name
- 1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
- IUPAC
- 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
- Lokaler Name
- 1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalin-8(5H)-on
- Englischer Name
- Isolongifolone
- Summenformel
- C15H24O
- Molmasse
- 220.35
Namen und Synonyme
23787-90-82H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-oneRefChem:412366Isolongifolone1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one1,1,5,5-Tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-oneIsolongifolanone- parent2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undecan-5-one29461-14-1SCHEMBL273852AKOS025405131
Weitere Namen anzeigen
PICONIAPICOMATEVALANONEBIsophyllanonelsolongifoloneISOLONGIFOLANONISOLONGIFOLANONEcis-Isolongifolanone
AS-76432FI175569NS000125562,2,7,7-tetramethyltricyclo[6.2.1.0,undecan-5-one2,2,7,7-tetramethyltricyclo[6.2.1.0(1),]undecan-5-one1,1,5,5-tetramethyl-hexahydro-2,4-a-methano-naphthalen-8-one1,1,5,5-tetramethyl-hexahydro-2,4a-methano-naphthalene-8-one1,1,5,5-tetramethylhexahydro-2h-2,4a-methano-naphthalene-8-one
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 352
Experimentelle und physikochemische Eigenschaften
CosmeticsMasking
Fragrances
Fragrance Ingredient ((2.alpha.,4a.alpha.,8.alpha.)-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one) -> IFRA transparency List
Fragrance Ingredient (Isolongifolene ketone) -> IFRA transparency List
Physikochemische Eigenschaften
- Siedepunkt
- 286.8 · 286.8±8.0 °C(Predicted)
- Dichte
- 1 · 1.00±0.1 g/cm3(Predicted)
- Dampfdruck
- 0.5 Pa · 0.5Pa at 20℃
- storage temp.
- Store at room temperature
- Geruch (Odor)
- 100 % · at 100.00 %. dry woody patchouli cedar earthy tobacco incense
- Geruchsart
- woody
- Wasserlöslichkeit
- 25.3 mg/L · 25.3mg/L at 20℃
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- InChI
- InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3
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 16.3% (272 of 1666) of reports.
Warning
H315 (83.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1666 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: 2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-
Chemical: 2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-, (2.alpha.,4a.alpha.,8.alpha.)-
2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl- 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)
REACH registered substance: 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one (EC: 245-890-3)
REACH registered substance: (2α,4aα,8α)-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one (EC: 249-649-3)
2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (83.4%)
Skin Irrit. 2 (100%)
Sicherheitsdaten
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <50,000 lb
Household ProductsInformation on 19 consumer products that contain Isolongifolanone in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Cosmetics -> Masking
General Manufacturing Information2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter89 Anbieter
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
保定秉承新材料有限公司17531190177 · [email protected]
武汉欣扬瑞和化学科技有限公司
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