Basic information
- CAS
148-03-8- Standard SMILES
Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2- InChIKey
WGVKWNUPNGFDFJ-DQCZWYHMSA-N- Molecular formula
- C28H48O2
- Average molar mass
- 416.7 g/mol
Overview
Beta-tocopherol is a tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts. It has a role as a plant metabolite and a food component. It is a tocopherol and a vitamin E.
Names & identifiers
- Preferred name
- Beta-Tocopherol
- IUPAC
- (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
- English name
- [2R[2R*(4R*,8R*)]]-3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
- Molecular formula
- C28H48O2
- Molecular weight
- 416.67952
Names & synonyms
BETA-TOCOPHEROL148-03-8d-beta-Tocopherol5,8-DimethyltocolCumotocopherolNeotocopherolp-Xylotocopherolbeta Tocopherol(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-olCHEBI:477718K9365K9PX(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Show more names
D-β-Tocopherolb-Tocopherolβ-D-TocopherolEinecs 240-747-1(+)-β-TocopherolTOCOPHEROL,D-β-(P)TOCOPHEROL, D-β-(P)(+)-beta-TocopherolTOCOPHEROL, D-BETA-
J236.825K9U6A490501(2R)-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol(2R)-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-olRefChem:567985RRR-BETA-TOCOPHEROL3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 475
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Quinones and hydroquinones [PR02] -> Vitamin E [PR0202]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point< 25 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 516.3 · 516.3±49.0 °C(Predicted)
- Density
- 0.933 · 0.933±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform (Sparingly), Ethanol (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- pka
- 11.05 · 11.05±0.40(Predicted)
- color
- Colourless to Yellow
- Cosmetics Ingredients Functions
- FRAGRANCESKIN CONDITIONING - OCCLUSIVEANTIOXIDANTSKIN CONDITIONING - MISCELLANEOUS
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.8% (3 of 107) of reports.
Warning
H315 (97.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 107 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Directive (EC) No 46/2002
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-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.
EPA Safer ChemicalChemical: beta-Tocopherol
Hazard Classes and Categories
Acute Tox. 4 (100%)
Skin Irrit. 2 (97.2%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29362800
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P264-P301+P312-P330
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Organic substances that are required in small amounts for maintenance and growth, but which cannot be manufactured by the human body.
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Uses & manufacturing
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
General Manufacturing Information
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-rel-: ACTIVE
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-: ACTIVE
Applications
UsesOne of the naturally occurring forms of Vitamin E. Is biologically less active than α-Tocopherol.
Suppliers92 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
銘瑞集團有限公司
Related reactions
5 records
Compound notes
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