Beta-Tocopherol

HCID 6857447CAS 148-03-8
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Grundinformationen

Standard-SMILES
Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2
InChIKey
WGVKWNUPNGFDFJ-DQCZWYHMSA-N
Summenformel
C28H48O2
Durchschnittliche Molmasse
416,7 g/mol

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
Beta-Tocopherol
IUPAC
(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Englischer Name
[2R[2R*(4R*,8R*)]]-3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
Summenformel
C28H48O2
Molmasse
416.67952

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
10,3
Polarare Oberfläche (TPSA)
29,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
12
Schwere Atome
30

Experimentelle und physikochemische Eigenschaften

LipidsLipids -> Prenol Lipids [PR] -> Quinones and hydroquinones [PR02] -> Vitamin E [PR0202]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point< 25 °C
Physical DescriptionSolid

Physikochemische Eigenschaften

Siedepunkt
516.3 · 516.3±49.0 °C(Predicted)
Dichte
0.933 · 0.933±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit
Chloroform (Sparingly), Ethanol (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand
Oil
pka
11.05 · 11.05±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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

Gefahrenhinweise

Regulatory Information · 2 Einträge

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 Einträge

Acute Tox. 4 (100%)

Skin Irrit. 2 (97.2%)

Sicherheitsdaten

tsca
TSCA listed
hs_code
29362800
safety_code
24/25

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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

Verwendung und Herstellung

Use Classification · 2 Einträge

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 Einträge

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

Anwendungen

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

Anbieter50 Anbieter

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]

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