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Tocol

CAT: 0804-HY-115731-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-115731-02Size:10 mg
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Description
Tocol (Desmethyltocopherol) is a synthetic vitamin E derivative. Unlike (±) -α-tocopherol, (±) -tocol does not suppress retinol-induced erythrocyte hemolysis or increase microviscosity of rat liver phosphatidylcholine (PC) liposomes.
CAS Number
119-98-2
Product Name Alternative
Desmethyltocopherol; DL-Tocol; rac-Tocol
UNSPSC
12352005
Hazard Statement
H225-H304-H315-H336-H361-H373-H411
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/tocol.html
Smiles
OC1=CC=C2C(CCC(CCCC(C)CCCC(C)CCCC(C)C)(C)O2)=C1
Molecular Formula
C26H44O2
Molecular Weight
388.63
Precautions
P210-P233-P240-P241-P242-P243-P260-P261-P264-P271-P273-P280-P302+P352-P303+P361+P353-P304+P340-P331-P362+P364-P370+P378-P391-P403+P233-P403+P235-P405-P501
References & Citations
[1]Urano, et al. Vitamin E: Inhibition of retinol-induced hemolysis and membrane-stabilizing behavior. J. Biol. Chem. 267 (26), 18365-18370 (1992) .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tocol

synthetic with antiproliferative and proapoptotic effects; structure in first source

CAS Number119-98-2
PubChem CID9865117
IUPAC Name2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Molecular FormulaC26H44O2
Molecular Weight388.6
XLogP9.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count28
Formal Charge0
Complexity421
SMILES
CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)O)C
InChI
InChI=1S/C26H44O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h14-15,19-22,27H,6-13,16-18H2,1-5H3
InChIKey
DFUSDJMZWQVQSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tocol
CAS: 119-98-2
CID: 9865117
Formula: C26H44O2
MW: 388.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight388.6
XLogP39.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass388.334130642
Monoisotopic Mass388.334130642
Topological Polar Surface Area29.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity421
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

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