[2R*(4R*,8R*)]-(±)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylnicotinat

Tocopheryl Nicotinate

HCID 27990CAS 16676-75-8
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

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
Summenformel
C35H53NO3
Durchschnittliche Molmasse
535,8 g/mol

Überblick

Tocopheryl nicotinate is a tocol.

Namen und Bezeichner

Bevorzugter 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
Englischer Name
Vitamin E nicotinate
Summenformel
C35H53NO3
Molmasse
535.8

Namen und Synonyme

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
Weitere Namen anzeigen
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]

Datenbank-Bezeichner

CAS
16676-75-8、43119-47-7、51898-34-1
PubChem CID
27990
DTXSID
DTXSID1046396
ChEMBL
CHEMBL1084541
ChEBI
CHEBI:32239
UNII
QCP2FMP7I8、WI1J5UCY5C
EC Number
256-101-7、257-501-4、605-452-8
Nikkaji
J291.082I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
11,4
Polarare Oberfläche (TPSA)
48,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
15
Schwere Atome
39

Experimentelle und physikochemische Eigenschaften

CosmeticsCosmetic ingredients (Tocopheryl Nicotinate) -> CIR (Cosmetic Ingredient Review)
Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

storage temp.
2 · 2-8°C
Kosmetik-Inhaltsstoffe Funktionen
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 Datenbank
16676 · 16676-75-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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 · 2 Einträge

Evaluation - Tocopherols and their salts and esters

Evaluation - Tocopherols and their salts and esters

Hazard Classes and Categories · 2 Einträge

Not Classified

Not Classified

Toxikologische Informationen

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

Sicherheitsdaten

wgk
3

Chemie und Industrie

Verwendung und Herstellung

UsesCIR ingredient: Tocopheryl Nicotinate
Household ProductsInformation on 1 consumer products that contain Tocopheryl Nicotinate in the following categories is provided:

Anbieter37 Anbieter

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0714-3999001 19171453112 · [email protected]

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