D-α-Tocopherol Acetate - ≥96% , CAS No.58-95-7

CAS: 58-95-7 Cat. No.: V105037 Peso molecular: 472.74 Beilstein Registry Number: 17(5)4,168 Número EC: 200-405-4

GRADE & PURITY ≥96%

Synonyms

2-Oxo-1-butanol | UNII-9E8X80D2L0 | CAS-52225-20-4 | (R,R,R)-alpha-Tocopheryl acetate | alpha-Tocopherol acetate | Gevex | Lutavit E 50 | Nanotopes | Tinoderm E | Tocopheryl acetate | Vitamin E acetate | Spondyvit | (+)-.alpha.-Tocopherol acetate | Ephyna

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-Oxo-1-butanol | UNII-9E8X80D2L0 | CAS-52225-20-4 | (R, R, R)-alpha-Tocopheryl acetate | alpha-Tocopherol acetate | Gevex | Lutavit E 50 | Nanotopes | Tinoderm E | Tocopheryl acetate | Vitamin E acetate | Spondyvit | (+)-.alpha.-Tocopherol acetate | Ephyna

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)C
• IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate
• InChIKey: ZAKOWWREFLAJOT-CEFNRUSXSA-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/t22-,23-,31-/m1/s1
• Isómeros SMILES: CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C)C
• WGK Alemania: 1
• RTECS: GP8280000
• Peso molecular: 472.74
• Beilstein: 17(5)4,168
• 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
    • Clase Prenol lipids
      • Subclass Quinone and hydroquinone lipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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: tocol

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

Objetivos asociados (humanos)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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MCF7 (126967 Activities)

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Skin (286 Activities)

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GMNN Tbio Geminin (128009 Activities)

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RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

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Objetivos asociados (no humanos)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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SARS-CoV-2 (38078 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Índice de refracción: 1.494-1.498
• Rotación específica [α]: 24°
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 184°C
• Punto de fusión (°C): 28°C
• Peso molecular: 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: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Guangfei Wei, Xu Song, Yao Fu, Tao Gong, Quan Zhang.  (2017)  Sustained-release mitochondrial protonophore reverses nonalcoholic fatty liver disease in rats.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:28754512] [10.1016/j.ijpharm.2017.07.072]

2. Heyi Su, Fan Yang, Keyi Lu, Jiaxian Ma, Guangming Huo, Shengjie Li, Jianmei Li.  (2024)  Carnosic acid ameliorates postinflammatory hyperpigmentation by inhibiting inflammatory reaction and melanin deposition.  BIOMEDICINE & PHARMACOTHERAPY,      [PMID:39393328] [10.1016/j.biopha.2024.117522]

3. Qurat Ul Ain Haidery, Bo Han, Rashid Saeed, Chenyue Yan, Xingyuan Ma, Wenyun Zheng.  (2026)  Matrix-dependent degradation kinetics and impurity fingerprinting of cannabidiol (CBD) in polymeric and lipid preservation systems.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:] [10.1016/j.jpba.2026.117464]