[2R[2R*(4R*,8R*)]]-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
Grundinformationen
- CAS
119-13-1- Standard-SMILES
Cc1cc(O)cc2c1OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2- InChIKey
GZIFEOYASATJEH-UHFFFAOYSA-N- Summenformel
- C27H46O2
- Durchschnittliche Molmasse
- 402,7 g/mol
- Monoisotopische Masse
- 402,34978071
Namen und Bezeichner
- Bevorzugter Name
- 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
- IUPAC
- 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
- Lokaler Name
- [2R[2R*(4R*,8R*)]]-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
- Englischer Name
- D-DELTA-TOCOPHEROL
- Summenformel
- C27H46O2
- Molmasse
- 402.65
Namen und Synonyme
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, (2R-(2R*(4R*,8R*)))-RefChem:484183delta-Tocopherol, dl-5488-58-4UNII-ZL0RFA4E5NZL0RFA4E5N6-Chromanol, 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-Benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-olDL-delta-tocopherol
Weitere Namen anzeigen
δ-Tocopheroldelta-TocopherolD-δ-Tocopherol(+)-δ-TocopherolE 309E-Mix D8-METHYLTOCOLD-D-TOCOPHEROLdelta-Vitamin E
delta-tocopherol [M+H]+3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-olorb1301236orb3139523SCHEMBL2908170(R)-2,8-Dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol.DELTA.-TOCOPHEROL, DL-DTXSID90859221
Datenbank-Bezeichner
- CAS
119-13-1、5488-58-4- PubChem CID
- 586537
- DTXSID
DTXSID90859221- UNII
- ZL0RFA4E5N
- Nikkaji
- J24.788J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 10
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 448
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 ℃ · <25℃
- Siedepunkt
- 464.74 °C · 464.74°C (rough estimate)
- Dichte
- 0.9932 · 0.9932 (rough estimate)
- Brechungsindex
- 1.448 · 1.4480 (estimate)
- Flammpunkt
- Not applicable
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Chloroform (Sparingly), Ethanol (Slightly, Sonicated), Ethyl Acetate (Slightly),
- Aggregatzustand
- liquid
- pka
- 10.7 · 10.70±0.40(Predicted)
- Farbe
- Clear yellow to brownish
- Biologische Quelle
- plant
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING - MISCELLANEOUSFRAGRANCESKIN CONDITIONING - OCCLUSIVEANTIOXIDANT
- InChI
- 1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1
- InChIKey
- GZIFEOYASATJEH-VHFRWLAGSA-N
- SMILES
- CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)cc(C)c2O1
- LogP
- 10.493 · 10.493 (est)
- CAS Datenbank
- 119 · 119-13-1
- EPA chemische Informationen
- 2 H-1-Benzopyran-6-ol, · 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)- (119-13-1)
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 InformationChemical: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
Other Safety InformationEvaluation - Tocopherols and their salts and esters
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29329990
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
VerwendenOne of the naturally occurring forms of Vitamin E. Isolated from soybean oil.
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