Grundinformationen
- CAS
18309-32-5- Standard-SMILES
CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C- InChIKey
DCSCXTJOXBUFGB-SFYZADRCSA-N- Summenformel
- C10H14O
- Durchschnittliche Molmasse
- 150,22 g/mol
- Monoisotopische Masse
- 150,10446507
Überblick
(R)-(+)-verbenone is a 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have R configuration. It is a component of Spanish verbena oil, from Verbena triphylla. It has a role as a plant metabolite. It is a terpenoid and a 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one. It is an enantiomer of a (S)-(-)-verbenone.
Namen und Bezeichner
- Bevorzugter Name
- Verbenone, (A+-)-
- IUPAC
- (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
- Lokaler Name
- (1R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-on
- Englischer Name
- Verbenone
- Summenformel
- C10H14O
- Molmasse
- 150.22
Namen und Synonyme
VERBENONEIFV46DXC6UFEMA NO. 4216Verbenone, (A+-)-Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-NSC-6832(1R,5R)-2,6,6-trimethylbicyclo(3.1.1)hept-2-en-4-one(1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-oneRefChem:51078201-292-418309-32-5(+)-Verbenone
Weitere Namen anzeigen
Nsc36846Verbenone,(d)Verbenone, (+)- vone(1r,5r)-(+)-2-pinen-4-on(1R,5R)-(+)-2-Pinen-4-one
(1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one(R)-(+)-Verbenoned-VerbenoneVerbinoneVerbenone, (+)-(1R,5R)-2-pinen-4-one2-Pinen-4-one, (1R,5R)-(+)-MFCD00064898
Datenbank-Bezeichner
- CAS
18309-32-5、80-57-9- PubChem CID
- 65724
- DTXSID
DTXSID30885024- ChEMBL
CHEMBL1409937
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 248
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesOptical coefficient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Physikochemische Eigenschaften
- Schmelzpunkt
- 6.5 ° · 6.5°
- Siedepunkt
- 12 · bp12 102-105°; bp760 227-228°
- Dichte
- 20 · d20 0.9780
- Brechungsindex
- 18 · nD18 1.4957
- storage temp.
- 0 · Store at 0-8 °C
- Löslichkeit
- Chloroform (Sparingly), Methanol (Slightly)
- Aggregatzustand
- Oil
- Farbe
- Colourless to Pale Yellow
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- InChI
- InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (115 of 115) of all reports.
Not Classified
Aggregated GHS information provided per 115 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R)-
Bicyclo3.1.1hept-3-en-2-one, 4,6,6-trimethyl-, (1R,5R)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R)-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R,5R)-: ACTIVE
Anbieter42 Anbieter
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
苏州申拓医药科技有限公司13911244683 18151949202
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海康恩博科技有限公司（科小研试剂）
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