Grundinformationen
- Standard-SMILES
CC1=CC2=CC(=O)CCC2CC1- InChIKey
NGSXTBFUMNXJDK-UHFFFAOYSA-N- Summenformel
- C11H14O
- Durchschnittliche Molmasse
- 162,23 g/mol
- Monoisotopische Masse
- 162,10446507
Namen und Bezeichner
- Bevorzugter Name
- 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
- IUPAC
- 7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
- Lokaler Name
- 4,4a,5,6-Tetrahydro-7-methylnaphthalin-2(3H)-on
- Englischer Name
- 7-Methyl-4,4a-5,6-tetrahydro-2(3H)naphthalenone
- Summenformel
- C11H14O
- Molmasse
- 162.23
Namen und Synonyme
34545-88-5coconut naphthalenoneFEMA No. 37157-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenoneKUMARONE4TIV4S045F2(3H)-Naphthalenone, 4,4A,5,6-tetrahydro-7-methyl-EINECS 252-079-8NSC-757647-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphalenone4,4a,5,6-Tetrahydro-7-methylnaphthalene-2(3H)-one4,4A,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone
Weitere Namen anzeigen
FEMA 37157-METHYL-4,4a-5,6-TETRAHYDRO-2(3H)NAPHALENONE7-Methyl-4,4a-5,6-tetrahydro-2(3H)naphthalenone4,4a,5,6-Tetrahydro-7-methylnaphthalen-2(3H)-one
NSC 757647-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE [FHFI]RefChem:546832(+-)-7-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE7-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE, (+-)-252-079-87-methyl-4,4a,5,6-tetrahydronaphthalen-2(3H)-one4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone
Datenbank-Bezeichner
- CAS
34545-88-5- PubChem CID
- 61935
- DTXSID
DTXSID90865721- ChEBI
CHEBI:197274- UNII
- 4TIV4S045F
- EC Number
- 252-079-8
- Nikkaji
- J250.912A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 271
Experimentelle und physikochemische Eigenschaften
Solubility
Soluble in ether, fat; Insoluble in water
Soluble (in ethanol)
Boiling Point305.00 to 306.00 °C. @ 760.00 mm Hg
Melting Point36.00 to 37.00 °C. @ 760.00 mm Hg
Physical DescriptionLight yellow crystaline powder; Sweet coumarin-like aroma
Physikochemische Eigenschaften
- FEMA
- 3715 · 3715 | 7-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE
- Geruch (Odor)
- 10 % · at 10.00 % in dipropylene glycol. toasted coconut tonka
- Geruchsart
- coconut
- JECFA Number
- 1405 · 1405
- LogP
- 2.13 · 2.13
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 90 of 90 reports by companies.；There are 0 notifications provided by 0 of 90 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: 2(3H)-Naphthalenone, 4,4a,5,6-tetrahydro-7-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2(3H)-Naphthalenone, 4,4a,5,6-tetrahydro-7-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Regulatorische Informationen
Regulatory Information
Chemical: 2(3H)-Naphthalenone, 4,4a,5,6-tetrahydro-7-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2(3H)-Naphthalenone, 4,4a,5,6-tetrahydro-7-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm；Extracellular；Membrane
Verwendung und Herstellung
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Anwendungen
Beschreibung7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone has a sweet coumarin-like odor.
Anbieter2 Anbieter
PENTA[email protected]
3B Scientific Corporation[email protected]
Zugehörige Reaktionen
1
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