Delta-Tocopherol

HCID 92094CAS 119-13-1
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기본 정보

표준 SMILES
Cc1cc(O)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2
InChIKey
GZIFEOYASATJEH-VHFRWLAGSA-N
분자식
C27H46O2
평균 분자량
402.7 g/mol
단동위원소 질량
402.34978071

개요

Delta-tocopherol is a tocopherol in which the chroman-6-ol core is substituted by a methyl group at position 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. It has a role as a plant metabolite and a food antioxidant. It is a tocopherol and a vitamin E.

이름 및 식별자

우선 이름
Delta-Tocopherol
IUPAC
(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

이름 및 동의어

delta-Tocopherol119-13-1(+)-delta-Tocopherol8-Methyltocol(2R)-3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol(R,R,R)-delta-TocopherolJU84X1II0N(2R,4'R,8'R)-delta-TocopherolJ5.309KCHEBI:47772(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
이름 더 보기
(2R)-3,4-DIHYDRO-2,8-DIMETHYL-2-((4R,8R)-4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-OL(2R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol(2R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-olRefChem:131691RRR-DELTA-TOCOPHEROL(2R-(2R*(4R*,8R*)))-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol204-299-02,8-dimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol

데이터베이스 식별자

CAS
119-13-1
PubChem CID
92094
DTXSID
DTXSID1046263
ChEMBL
CHEMBL1451395
ChEBI
CHEBI:47772
UNII
JU84X1II0N
EC Number
204-299-0
Nikkaji
J5.309K

물성

구조 계산 물성

XLogP
10
극성 표면적
29.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
12
무거운 원자 수
29

실험 및 물리화학적 성질

LipidsLipids -> Prenol Lipids [PR] -> Quinones and hydroquinones [PR02] -> Vitamin E [PR0202]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point< 25 °C
Refractive Index[n]D/20 1,500-1,504
Physical Description · 2건

Clear, viscous, pale yellowish or orange oil which oxidises and darkens on exposure to air or light

Solid

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 99.3% (152 of 153) of all reports.

Not Classified

Aggregated GHS information provided per 153 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-

Regulation (EC) No 1333/2008 (amended)

Status: Active Update: 02-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/27741

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4R,8R)-4,8,12-trimethyltridecyl-, (2R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationEvaluation - Tocopherols and their salts and esters
EPA Safer ChemicalChemical: delta-Tocopherol
Hazard Classes and CategoriesNot Classified

화학 및 산업

약리 정보

Tissue LocationsAdipose Tissue
Cellular LocationsExtracellular

용도 및 제조

Household ProductsInformation on 1 consumer products that contain delta-Tocopherol in the following categories is provided:
Use Classification · 3건

EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Food additives

General Manufacturing Information2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-: ACTIVE

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