ニコチン酸（±）-α- トコフェロール

Tocopheryl Nicotinate

HCID 27990CAS 16676-75-8
部分構造検索類似構造を探す

基本情報

標準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
分子式
C35H53NO3
平均分子量
535.8 g/mol

概要

Tocopheryl nicotinate is a tocol.

名称と識別子

優先名称
Tocopheryl Nicotinate
IUPAC
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate
英語名
Vitamin E nicotinate
分子式
C35H53NO3
分子量
535.8

名称と別名

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
名称をさらに表示
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]

データベース識別子

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

物性

構造計算による物性

XLogP
11.4
極性表面積
48.4 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
15
重原子数
39

実験および物理化学的性質

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

物理化学的性質

貯蔵温度
2 · 2-8°C
化粧品成分の機能
スキンコンディショニング肌を保護する抗酸化物質
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 データベース
16676 · 16676-75-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 3 件

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 件

Evaluation - Tocopherols and their salts and esters

Evaluation - Tocopherols and their salts and esters

Hazard Classes and Categories · 2 件

Not Classified

Not Classified

毒性情報

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

安全データ

wgk
3

化学と産業

用途と製造

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

サプライヤー37 社

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]

補足説明

定義本品は、ナイアシン(*)とトコフェロール(*)のエステルである。参照表示名称：ナイアシン, トコフェロール

関連反応

1 件
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