기본 정보
- 표준 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- 분자식
- C35H53NO3
- 평균 분자량
- 535.8 g/mol
개요
Tocopheryl nicotinate is a tocol.
이름 및 식별자
- 우선 이름
- Tocopheryl Nicotinate
- IUPAC
- [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate
- 현지명
- 토코페릴니코티네이트
- 영어명
- Vitamin E nicotinate
- 분자식
- C35H53NO3
- 분자량
- 535.8
이름 및 동의어
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
이름 더 보기
토코페릴니코티네이트Vitamin 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]
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- 11.4
- 극성 표면적
- 48.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 725
실험 및 물리화학적 성질
CosmeticsCosmetic ingredients (Tocopheryl Nicotinate) -> CIR (Cosmetic Ingredient Review)
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
- 화장품 원료 기능
- 피부 컨디셔닝피부 보호항산화제
- 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|
안전 및 규제
GHS 분류
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.
유해성 정보
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
독성 정보
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
안전 데이터
- wgk
- 3
화학 및 산업
용도 및 제조
UsesCIR ingredient: Tocopheryl Nicotinate
Household ProductsInformation on 1 consumer products that contain Tocopheryl Nicotinate in the following categories is provided:
공급사37 곳
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]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
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上海克琴科技有限公司+86-21-67299971；+86-21-67290723 18117322963
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天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海泽信化工科技有限公司021-60136491 15901897992
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海源叶生物科技有限公司13636370518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
西安博联特化工有限公司17719597442 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海药领医药科技合伙企业（有限合伙）400-6181121 18616383988 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
亚索试剂400-873-6778 18660992876 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
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