Basic information
- CAS
16676-75-8- Standard SMILES
Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2- InChIKey
MSCCTZZBYHQMQJ-AZAGJHQNSA-N- Molecular formula
- C35H53NO3
- Average molar mass
- 535.8 g/mol
Overview
Tocopheryl nicotinate is a tocol.
Names & identifiers
- Preferred name
- Tocopheryl Nicotinate
- IUPAC
- [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate
- English name
- Vitamin E nicotinate
- Molecular formula
- C35H53NO3
- Molecular weight
- 535.8
Names & synonyms
Vitamin E Nicotinate43119-47-7RenascinTOCOPHERYL NICOTINATEVitamin E nicotinic acid esterWI1J5UCY5C[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] pyridine-3-carboxylate((2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl) pyridine-3-carboxylateTocoferil nicotinateRefChem:89853851898-34-116676-75-8
Show more names
Vitamin E nicotinate esterALPHA-TOCOPHERYL NICOTINATEtocopherylnicotinate,vitaminenicotinate(+/-)-2,5,7,8-Tetramethyl-2-(4,8,12 (-trimethyltridecyl)chromanol nicotinate[2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)CHROMAN-6-YL] PYRIDINE-3-CARBOXYLATEnicotin [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] ester[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate
tocopherol nicotinate(R)-2,5,7,8-Tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl nicotinateDL-alpha tocopheryl nicotinatedl-alpha-Tocopherol nicotinateDL-alpha-Tocopheryl Nicotinate( inverted exclamation markA)-|A-Tocopherol nicotinate(+/-)-alpha-Tocopherol nicotinateTocopherol nicotinate [JAN]
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 725
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Tocopheryl Nicotinate) -> CIR (Cosmetic Ingredient Review)
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGSKIN PROTECTINGANTIOXIDANT
- InChIKey
- MSCCTZZBYHQMQJ-FKXJDYCJNA-N
- SMILES
- C12C(C)=C(C(OC(=O)C3C=NC=CC=3)=C(C)C=1CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2)C |&1:19,24,29,r|
- CAS DataBase Reference
- 16676 · 16676-75-8(CAS DataBase Reference)
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (52 of 52) of all reports.
Not Classified
Aggregated GHS information provided per 52 reports by companies from 1 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3-Pyridinecarboxylic acid, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, [2R-[2R*(4R*,8R*)]]-
Chemical: 3-Pyridinecarboxylic acid, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, [2R*(4R*,8R*)]-(.+-.)-
3-Pyridinecarboxylic acid, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4R,8R)-4,8,12-trimethyltridecyl-2H-1-benzopyran-6-yl ester: 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
Hazard Classes and Categories
Not Classified
Not Classified
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Tocopheryl Nicotinate
Household ProductsInformation on 1 consumer products that contain Tocopheryl Nicotinate in the following categories is provided:
Applications
DescriptionVitamin E nicotinate is a compound formed by the esterification of vitamin E and niacin. It has the functions of activating the microcirculation system, softening blood vessels, inhibiting platelet aggregation, reducing blood viscosity, and increasing blood oxygen partial pressure. Also Vitamin E nicotinate can improve lipid metabolism, effectively reduce triglycerides, cholesterol and lipid peroxides, increase high-density lipoprotein, and comprehensively regulate blood lipid levels.
UsesVitamin E nicotinate is a peripheral vasodilator, which can directly act on the blood vessel wall, promote blood circulation, increase blood flow continuously and stably, and inhibit the biosynthesis of cholesterol. It is used for vascular disorders such as hypertension, cerebral arteriosclerosis, stroke, concussion and brain trauma sequelae, headache, dizziness, central retinitis, etc.
Suppliers37 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
湖北扬信医药科技有限公司
Related reactions
1 records
Compound notes
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