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(±) -γ-Tocopherol

CAT: 1299-RM-T031975-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T031975-01Size:10 mg
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CAS Number
7616-22-0
Synonyms
2,7,8-trimethyl-2- (4,8,12-trimethyltridecyl) chroman-6-ol
Molecular Formula
C28H48O2
Molecular Weight
416.69
Target Alternative Name
Tocopherol
Product Name Synonym
2,7,8-trimethyl-2- (4,8,12-trimethyltridecyl) chroman-6-ol

Chemical Information

Tocopherols

Tocopherol exists in four different forms designated as α, β, δ, and γ. They present strong antioxidant activities, and it is determined as the major form of vitamin E. Tocopherol, as a group, is composed of soluble phenolic compounds that consist of a chromanol ring and a 16-carbon phytyl chain. The classification of the tocopherol molecules is designated depending on the number and position of the methyl substituent in the chromanol ring. The different types of tocopherol can be presented trimethylated, dimethylated or methylated in the positions 5-, 7- and 8-. When the carbons at position 5- and 7- are not methylated, they can function as electrophilic centers that can trap reactive oxygen and nitrogen species. Tocopherols can be found in the diet as part of vegetable oil such as corn, soybean, sesame, and cottonseed. It is currently under the list of substances generally recognized as safe (GRAS) in the FDA for the use of human consumption.

CAS Number7616-22-0
PubChem CID14986
IUPAC Name2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Molecular FormulaC28H48O2
Molecular Weight416.7
XLogP10.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity475
SMILES
CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O
InChI
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3
InChIKey
QUEDXNHFTDJVIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tocopherols
CAS: 7616-22-0
CID: 14986
Formula: C28H48O2
MW: 416.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight416.7
XLogP310.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass416.365430770
Monoisotopic Mass416.365430770
Topological Polar Surface Area29.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity475
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes