Grundinformationen
- Standard-SMILES
Cc1cc(O)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2- InChIKey
GZIFEOYASATJEH-VHFRWLAGSA-N- Summenformel
- C27H46O2
- Durchschnittliche Molmasse
- 402,7 g/mol
- Monoisotopische Masse
- 402,34978071
Überblick
Delta-tocopherol is a tocopherol in which the chroman-6-ol core is substituted by a methyl group at position 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. It has a role as a plant metabolite and a food antioxidant. It is a tocopherol and a vitamin E.
Namen und Bezeichner
- Bevorzugter Name
- Delta-Tocopherol
- IUPAC
- (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Namen und Synonyme
delta-Tocopherol119-13-1(+)-delta-Tocopherol8-Methyltocol(2R)-3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol(R,R,R)-delta-TocopherolJU84X1II0N(2R,4'R,8'R)-delta-TocopherolJ5.309KCHEBI:47772(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Weitere Namen anzeigen
(2R)-3,4-DIHYDRO-2,8-DIMETHYL-2-((4R,8R)-4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-OL(2R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol(2R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-olRefChem:131691RRR-DELTA-TOCOPHEROL(2R-(2R*(4R*,8R*)))-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol204-299-02,8-dimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
Datenbank-Bezeichner
- CAS
119-13-1- PubChem CID
- 92094
- DTXSID
DTXSID1046263- ChEMBL
CHEMBL1451395- ChEBI
CHEBI:47772- UNII
- JU84X1II0N
- EC Number
- 204-299-0
- Nikkaji
- J5.309K
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
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Prenol Lipids [PR] -> Quinones and hydroquinones [PR02] -> Vitamin E [PR0202]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point< 25 °C
Refractive Index[n]D/20 1,500-1,504
Physical Description
Clear, viscous, pale yellowish or orange oil which oxidises and darkens on exposure to air or light
Solid
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.3% (152 of 153) of all reports.
Not Classified
Aggregated GHS information provided per 153 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
Regulation (EC) No 1333/2008 (amended)
Status: Active Update: 02-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/27741
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4R,8R)-4,8,12-trimethyltridecyl-, (2R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Tocopherols and their salts and esters
EPA Safer ChemicalChemical: delta-Tocopherol
Hazard Classes and CategoriesNot Classified
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsAdipose Tissue
Cellular LocationsExtracellular
Verwendung und Herstellung
Household ProductsInformation on 1 consumer products that contain delta-Tocopherol in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Food additives
General Manufacturing Information2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-: ACTIVE
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