Piperitol
Grundinformationen
- CAS
491-04-3- Standard-SMILES
COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)ccc1O- InChIKey
VBIRCRCPHNUJAS-AFHBHXEDSA-N- Summenformel
- C20H20O6
- Durchschnittliche Molmasse
- 356,4 g/mol
- Monoisotopische Masse
- 356,12598835
Überblick
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol is a furofuran that is tetrahydro-1H,3H-furo[3,4-c]furan which is substituted at positions 1 and 4 by 4-hydroxy-3-methoxyphenyl and 1,3-benzodioxol-5-yl groups, respectively (the 1S,3aR,4S,6aR stereoisomer). The biosynthetic precursor of (+)-sesamin. It has a role as a plant metabolite. It is a lignan, a member of phenols, an aromatic ether, a member of benzodioxoles and a furofuran.
Namen und Bezeichner
- Bevorzugter Name
- Piperitol
- IUPAC
- 4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol
- Englischer Name
- (+)-Regiomontanin
- Summenformel
- C20H20O6
- Molmasse
- 356.37
Namen und Synonyme
Piperitol4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol4-((3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-6-yl)-2-methoxyphenolRefChem:8636081-Methyl-4-isopropyl-1-cyclohexen-3-ol2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-3-Hydroxy-4-isopropyl-1-methylcyclohexene491-04-37UM0ILT6I7FEMA No. 3179Piperitol (monoterpene)(+)-piperitol
Weitere Namen anzeigen
(+)-Regiomontanin(+)-RegiomontaninPhenol, 4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxy-
52151-92-5RegiomontaninCLA6B4LBF3Sesamin monocatechol 3-methylate4-((1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-C)furan-1-yl)-2-methoxyphenol4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenolPhenol, 4-((1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-C)furan-1-yl)-2-methoxy-UNII-CLA6B4LBF3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 66,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 501
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Other Organic Compounds
OdorFRESH PUNGENT ODOR
TasteFRESH PUNGENT TASTE
Color/FormCRYSTALS
Boiling PointBP: 57 °C; SPECIFIC GRAVITY: 0.9217 @ 25 °C /TRANS-, DL-/
Melting PointMP: 36 °C; OPTICAL ROTATION: -246 DEG @ 17 °C (C= 2 IN BENZENE) /CIS-, L-/; MP: 28 °C /CIS-, DL-/
Refractive IndexSPECIFIC GRAVITY: 0.9203 @ 25 °C; INDEX OF REFRACTION: 1.4762 @ 25 °C; OPTICAL ROTATION: +28 DEG @ 17 °C (C= 2 IN BENZENE) /TRANS-, D-/
Physical DescriptionSolid with a pungent odor; [HSDB]
Other Experimental PropertiesCIS- AND TRANS-FORM OPTICALLY ACTIVE
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummarySafe when used as a flavoring agent in food; [JECFA]
Toxikologische Informationen
Natural Pollution SourcesREPORTED FOUND IN SEVERAL NATURALLY OCCURRING OILS, ORIGINALLY ISOLATED FROM THE OIL OF EUCALYPTUS RADIATA.
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a flavoring ingredient; [HSDB]
SYNTHETIC FLAVORING INGREDIENT
Methods of Manufacturing...BY REDUCTION OF RACEMIC PIPERITONE WITH LITHIUM ALUMINUM HYDRIDE OR ALUMINUM ISOPROPOXIDE, THE D-FORM IS ISOLATED FROM NATURAL SOURCES.
General Manufacturing Information
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-: INACTIVE
FEMA NUMBER 3179
REPORTED USES: NON-ALCOHOLIC BEVERAGES, ICE CREAM, ICES, CANDY 20.0 PPM.
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