Vitamin E acetate - analytical standard , CAS No.7695-91-2

CAS: 7695-91-2 Cat. No.: V107231 Summenformel: C₃₁H₅₂O₃ Molekulargewicht: 472.74 Beilstein Registry Number: 97512 EG-Nummer: 231-710-0

GRADE & PURITY Analytical standard

Synonyms

Fertilvit | Tocopheryl Acetate, dl-Alpha | DL-alpha-Tocopherol acetate | D-alpha -tocopherol acetate | IDI1_000803 | Pharmakon1600-00310040 | SPBio_000726 | Alpha-tocopheryl acetate, dl- | MLS001333082 | Tocopheryl acetate, dl-.alpha. | DTXSID20859032 | H

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

(±)-α-Tocopherol acetate (Standard) is the analytical standard of (±)-α-Tocopherol acetate. This product is intended for research and analytical applications. (±)-α-Tocopherol acetate ((±)-Vitamin E acetate), is a orally active synthetic form of vitamin E. (±)-α-Tocopherol acetate is the ester of acetic acid and α-tocopherol. (±)-α-Tocopherol acetate can be used for the research of the susceptibility of farmed fish to infectious diseases.

Specifications

Synonyme

Fertilvit | Tocopheryl Acetate, dl-Alpha | DL-alpha-Tocopherol acetate | D-alpha -tocopherol acetate | IDI1_000803 | Pharmakon1600-00310040 | SPBio_000726 | Alpha-tocopheryl acetate, dl- | MLS001333082 | Tocopheryl acetate, dl-.alpha. | DTXSID20859032 | H

Spezifikationen & Reinheit

analytical standard

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528773411

Kanonisches Lächeln

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)C

IUPAC Name

[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate

InChIKey

ZAKOWWREFLAJOT-UHFFFAOYSA-N

INCHI

1S/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

Isomere SMILES

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)C

RTECS

GA8747000

Molekulargewicht

472.74

Beilstein

97512

Reaxy-Rn

455066

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=455066&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Quinone and hydroquinone lipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Not available
• Direct Parent: Vitamin E compounds
• Alternative Parents: Diterpenoids 1-benzopyrans Alkyl aryl ethers Benzenoids Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diterpenoid - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Benzenoid - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as vitamin e compounds. These are a group of fat-soluble compounds containing or derived either from a tocopherol or a tocotrienol skeleton.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Zugehörige Ziele (nicht menschlich)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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Aorta (2975 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.497
• Flammpunkt (°F): 437 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 224°C
• Molekulargewicht: 472.700 g/mol
• XLogP3: 10.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 472.392 Da
• Monoisotopic Mass: 472.392 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 601.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1