(2R)-3,4-ジヒドロ-2,5,8-トリメチル-2-[(4R,8R)-4,8,12-トリメチルトリデシル]-2H-1-ベンゾピラン-6-オール

Beta-Tocopherol

HCID 6857447

基本情報

CAS: 148-03-8
標準SMILES: Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2
InChIKey: WGVKWNUPNGFDFJ-DQCZWYHMSA-N
分子式: C28H48O2
平均分子量: 416.7 g/mol

概要

Beta-tocopherol is a tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts. It has a role as a plant metabolite and a food component. It is a tocopherol and a vitamin E.

名称と識別子

優先名称: Beta-Tocopherol
IUPAC: (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
現地名: (2R)-3,4-ジヒドロ-2,5,8-トリメチル-2-[(4R,8R)-4,8,12-トリメチルトリデシル]-2H-1-ベンゾピラン-6-オール
英語名: [2R[2R*(4R*,8R*)]]-3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
分子式: C28H48O2
分子量: 416.67952

名称と別名

BETA-TOCOPHEROL148-03-8d-beta-Tocopherol5,8-DimethyltocolCumotocopherolNeotocopherolp-Xylotocopherolbeta Tocopherol(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-olCHEBI:477718K9365K9PX(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

名称をさらに表示

d-β-トコフェロール(2R)-2,5,8-トリメチル-2-[(4R,8R)-4,8,12-トリメチルトリデシル]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-オール(2R)-3,4-ジヒドロ-2β,5,8-トリメチル-2-[(4R,8R)-4,8,12-トリメチルトリデシル]-2H-1-ベンゾピラン-6-オール(2R)-3,4-ジヒドロ-2,5,8-トリメチル-2-[(4R,8R)-4,8,12-トリメチルトリデシル]-2H-1-ベンゾピラン-6-オール(R)-2α-[(4R,8R)-4,8,12-トリメチルトリデシル]-2,5,8-トリメチルクロマン-6-オールD-β-Tocopherolb-Tocopherolβ-D-TocopherolEinecs 240-747-1(+)-β-TocopherolTOCOPHEROL,D-β-(P)TOCOPHEROL, D-β-(P)(+)-beta-TocopherolTOCOPHEROL, D-BETA-

J236.825K9U6A490501(2R)-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol(2R)-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-olRefChem:567985RRR-BETA-TOCOPHEROL3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol

データベース識別子

CAS: 148-03-8、16698-35-4
PubChem CID: 6857447
DTXSID: DTXSID10873424
ChEBI: CHEBI:47771
UNII: 8K9365K9PX、9U6A490501
EC Number: 205-708-5、240-747-1
Nikkaji: J236.825K

物性

構造計算による物性

XLogP: 10.3
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: 30
形式電荷: 0
複雑度: 475

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

Physical DescriptionSolid

物理化学的性質

沸点: 516.3 · 516.3±49.0 °C(Predicted)
比重(密度): 0.933 · 0.933±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性: Chloroform (Sparingly), Ethanol (Slightly), Ethyl Acetate (Slightly)
外見: Oil
酸解離定数(Pka): 11.05 · 11.05±0.40(Predicted)
色: Colourless to Yellow
化粧品成分の機能: 香料皮膚コンディショニング - 閉塞性抗酸化物質スキンコンディショニング - その他
InChI: InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
InChIKey: WGVKWNUPNGFDFJ-DQCZWYHMSA-N
SMILES: [C@@]1(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC2=C(C)C=C(O)C(C)=C2CC1
EPAの化学物質情報: 2 H-1-Benzopyran-6-ol, · 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)- (16698-35-4)

化学的性質

化学的特性Brownish Yellow Oil

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.8% (3 of 107) of reports.

Warning

H315 (97.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 107 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 2 件

Directive (EC) No 46/2002

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-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.

EPA Safer ChemicalChemical: beta-Tocopherol

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

Skin Irrit. 2 (97.2%)

安全データ

tsca: TSCA listed
hs_code: 29362800
safety_code: 24/25

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

Organic substances that are required in small amounts for maintenance and growth, but which cannot be manufactured by the human body.

Tissue LocationsPlacenta

Cellular LocationsCytoplasm

用途と製造

Use Classification · 2 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

General Manufacturing Information · 2 件

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-rel-: ACTIVE

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-: ACTIVE

応用分野

使用One of the naturally occurring forms of Vitamin E. Is biologically less active than α-Tocopherol.

サプライヤー92 社

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

銘瑞集團有限公司17318633522 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

補足説明

定義本品は、ビタミンEであり、次の化学式で表される。

化合物ノート

読み込み中…