Dl-alpha-tocopherol acetate
Basic information
- CAS
52225-20-4- Standard SMILES
CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2- InChIKey
ZAKOWWREFLAJOT-UHFFFAOYSA-N- Molecular formula
- C31H52O3
- Average molar mass
- 472.7 g/mol
- Monoisotopic mass
- 472.39164552
Overview
DL-alpha-Tocopherol acetate is a tocol.
Names & identifiers
- Preferred name
- Dl-alpha-tocopherol acetate
- IUPAC
- [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate
- English name
- DL-ALPHA-TOCOPHEROL ACETATE
- Molecular formula
- C31H52O3
- Molecular weight
- 472.74
Names & synonyms
DL-alpha-Tocopherol acetate52225-20-4all-rac-alpha-Tocopheryl acetate(+-)-alpha-Tocopherol acetateAlpha-tocopherol acetate, dl-WR1WPI7EW8Tocopheryl Acetate, dl-AlphaAlpha-tocopheryl acetate, dl-Vitamin E acetate dl-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetateJ262.912G(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl) acetate
Show more names
VITAMIN E OILDL-ALPHA-TOCOPHERYL ACETATEDL-A-TOCOPHERYL ACETATEDL-A-TOCOPHEROL ACETATEALPHA-TOCOPHERYL ACETATEephynalDL-ECONEPSILAN-MDL-ALFACOL
RefChem:1083891Tocopheryl acetate,dl-alphad,l-alpha-Tocopherol AcetateNSC379576257-757-77695-91-2Tocopheryl acetateVitamin E acetate
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 601
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Tocopheryl Acetate) -> CIR (Cosmetic Ingredient Review)
Antioxidant
Personal care product
FragrancesFragrance Ingredient (2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate) -> IFRA transparency List
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point26.5 - 27.5 °C
Physical Description
Large Crystals
Solid
Collision Cross Section230.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 95.4% (1849 of 1939) of all reports.
Not Classified
Aggregated GHS information provided per 1939 reports by companies from 5 notifications to the ECHA C&L Inventory.
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate
Chemical: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-
Regulation (EC) No 1831/2003 (amended)
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate (EC: 231-710-0)
Vitamin E Acetate DL Form: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
Evaluation - Tocopherols and their salts and esters
Evaluation - Tocopherols and their salts and esters
EPA Safer ChemicalChemical: Vitamin E acetate
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
UsesCIR ingredient: Tocopheryl Acetate
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesAntioxidant
Industry UsesUV stabilizer
Household Products
Information on 897 consumer products that contain Tocopheryl acetate in the following categories is provided:
Information on 12 consumer products that contain Tocopherol acetate 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
Fragrance Ingredients
Cosmetics -> Antioxidant
General Manufacturing Information
Plastics Material and Resin Manufacturing
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate: ACTIVE
Applications
UsesAs an antioxidant in vegetable oils and shortening.
Usesdl-α-Tocopherol Acetate is the racemic analog of α-Tocopherol Acetate (T526155), one of the most bioactive of the naturally occurring forms of Vitamin E. Richest sources are green vegetables, grains, and oils, particularly palm, safflower and sunflower oils.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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