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[2R*(4R*,8R*)]-(±)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ylacetat

Dl-alpha-tocopherol acetate

HCID 2117
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Grundinformationen

CAS
52225-20-4
Standard-SMILES
CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
InChIKey
ZAKOWWREFLAJOT-UHFFFAOYSA-N
Summenformel
C31H52O3
Durchschnittliche Molmasse
472,7 g/mol
Monoisotopische Masse
472,39164552

Überblick

DL-alpha-Tocopherol acetate is a tocol.

Namen und Bezeichner

Bevorzugter Name
Dl-alpha-tocopherol acetate
IUPAC
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate
Lokaler Name
[2R*(4R*,8R*)]-(±)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ylacetat
Englischer Name
DL-ALPHA-TOCOPHEROL ACETATE
Summenformel
C31H52O3
Molmasse
472.74

Namen und Synonyme

DL-alpha-Tocopherol acetate52225-20-4all-rac-alpha-Tocopheryl acetate(+-)-alpha-Tocopherol acetateAlpha-tocopherol acetate, dl-WR1WPI7EW8Tocopheryl Acetate, dl-AlphaAlpha-tocopheryl acetate, dl-Vitamin E acetate dl-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetateJ262.912G(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl) acetate
Weitere Namen anzeigen
VITAMIN E OILDL-ALPHA-TOCOPHERYL ACETATEDL-A-TOCOPHERYL ACETATEDL-A-TOCOPHEROL ACETATEALPHA-TOCOPHERYL ACETATEephynalDL-ECONEPSILAN-MDL-ALFACOL
RefChem:1083891Tocopheryl acetate,dl-alphad,l-alpha-Tocopherol AcetateNSC379576257-757-77695-91-2Tocopheryl acetateVitamin E acetate

Eigenschaften

Berechnete Struktureigenschaften

XLogP
10,8
Polarare Oberfläche (TPSA)
35,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
14
Schwere Atome
34
Formalladung
0
Komplexität
601

Experimentelle und physikochemische Eigenschaften

Cosmetics · 3 Einträge

Cosmetic ingredients (Tocopheryl Acetate) -> CIR (Cosmetic Ingredient Review)

Antioxidant

Personal care product

FragrancesFragrance Ingredient (2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate) -> IFRA transparency List
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point26.5 - 27.5 °C
Physical Description · 2 Einträge

Large Crystals

Solid

Collision Cross Section230.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 95.4% (1849 of 1939) of all reports.

Not Classified

Aggregated GHS information provided per 1939 reports by companies from 5 notifications to the ECHA C&L Inventory.

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 6 Einträge

Chemical: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate

Chemical: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-

Regulation (EC) No 1831/2003 (amended)

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate (EC: 231-710-0)

Vitamin E Acetate DL Form: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 Einträge

Evaluation - Tocopherols and their salts and esters

Evaluation - Tocopherols and their salts and esters

EPA Safer ChemicalChemical: Vitamin E acetate

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

UsesCIR ingredient: Tocopheryl Acetate
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesAntioxidant
Industry UsesUV stabilizer
Household Products · 2 Einträge

Information on 897 consumer products that contain Tocopheryl acetate in the following categories is provided:

Information on 12 consumer products that contain Tocopherol acetate in the following categories is provided:

Use Classification · 4 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

Fragrance Ingredients

Cosmetics -> Antioxidant

General Manufacturing Information · 2 Einträge

Plastics Material and Resin Manufacturing

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate: ACTIVE

Anwendungen

VerwendenAs an antioxidant in vegetable oils and shortening.

Anbieter84 Anbieter

Zugehörige Reaktionen

0
Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Notizen zur Verbindung

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung

Datenbank-Bezeichner

CAS
52225-20-4、58-95-7、7695-91-2
PubChem CID
2117
DTXSID
DTXSID20859032
ChEMBL
CHEMBL247481
ChEBI
CHEBI:182695
UNII
WR1WPI7EW8
EC Number
231-710-0、257-757-7、692-041-1
Nikkaji
J24.809F
Schmelzpunkt
-27.5 ° · -27.5°
Siedepunkt
0.01 · bp0.01 184°; bp0.025 194°; bp0.3 224°
Dichte
0.96 g/mL · 0.96 g/mL at 20 °C(lit.)
Brechungsindex
20 · n20/D 1.497
Flammpunkt
9.7 °C · 9.7 °C - closed cup
storage temp.
2 · 2-8°C
Löslichkeit
Chloroform, Ethanol (Sparingly), Methanol (Sparingly)
Aggregatzustand
liquid
Farbe
Clear light yellow to light green
Stabilität
Light Sensitive
Major Application
clinical testingclinical testing
InChI
InChI=1/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/s3
InChIKey
ZAKOWWREFLAJOT-FDQWOHIBNA-N
SMILES
[C@@]1(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC2=C(C)C(C)=C(OC(=O)C)C(C)=C2CC1 |&1:0,5,10,r|
CAS Datenbank
52225 · 52225-20-4(CAS DataBase Reference)
EPA chemische Informationen
DL-Vitamin E acetate (52225-20-4)
Hazard Classes and CategoriesNot Classified

Toxikologische Informationen

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

Sicherheitsdaten

F
8-10-23
wgk
1
ridadr
UN 1648 3 / PGII
hs_code
29362800
RTECS-Nr.
GA8747000
Speicherklasse
3 - Flammable liquids
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
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