Delta-Tocopherol

HCID 92094CAS 119-13-1

基本情報

標準SMILES: Cc1cc(O)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2
InChIKey: GZIFEOYASATJEH-VHFRWLAGSA-N
分子式: C27H46O2
平均分子量: 402.7 g/mol
単同位体質量: 402.34978071

概要

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.

名称と識別子

優先名称: Delta-Tocopherol
IUPAC: (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

名称と別名

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

名称をさらに表示

(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

データベース識別子

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

物性

構造計算による物性

XLogP: 10
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 12
重原子数: 29
形式電荷: 0
複雑度: 448

実験および物理化学的性質

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 · 2 件

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

Solid

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 4 件

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

化学と産業

薬理情報

Tissue LocationsAdipose Tissue

Cellular LocationsExtracellular

用途と製造

Household ProductsInformation on 1 consumer products that contain delta-Tocopherol in the following categories is provided:

Use Classification · 3 件

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