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

CAS: 7695-91-2 Cat. No.: V107231 Molecular Weight: 472.74 Beilstein Registry Number: 97512 EC Number: 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

Overview

(±)-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

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

Specifications & Purity

analytical standard

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)C
• RTECS: GA8747000
• Molecular Weight: 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
    • Class Prenol lipids
      • Subclass Quinone and hydroquinone lipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Associated Targets(Human)

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

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

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

Discover Target: SLCO1B3

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Plasmodium falciparum (966862 Activities)

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

Mus musculus (284745 Activities)

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

Aorta (2975 Activities)

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

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Refractive Index: 1.497
• Flash Point(°F): 437 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 224°C
• Molecular Weight: 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

References

1. Wenxuan Cao, Jingbao Chen, Long Wu, Yu hang Xu, Yun Meng, Xiang Li, Zhiyun Zheng, Xiaoqin Chu.  (2023)  A Novel Molecular Reservoir Based on Reverse Self-Assembled Liquid Crystals - A New Strategy for Prolonging the Duration in Action of Analgesics.  JOURNAL OF PHARMACEUTICAL SCIENCES,      [PMID:37088153] [10.1016/j.xphs.2023.04.010]

2. Dan Ye, Liyan Shen, Ying Sun, Di Zhang, Xiao Tan, Panpan Jing, Min Zhang, Qingping Tian.  (2021)  Formulation and evaluation of a α-linolenic acid and vitamin E succinate microemulsion with low surfactant content and free of co-surfactant for use as a nutritional supplement.  FOOD CHEMISTRY,      [PMID:34186478] [10.1016/j.foodchem.2021.130433]

3. Aimin Chen, Xiao Peng, Zaifa Pan, Kang Shao, Jing Wang, Maohong Fan.  (2018)  Visual Assay of Glutathione in Vegetables and Fruits Using Quantum Dot Ratiometric Hybrid Probes.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:29863863] [10.1021/acs.jafc.8b00662]

4. Wang Jing, Peng Xiao, Li Daquan, Jiang Xiaochun, Pan Zaifa, Chen Aimin, Huang Liang, Hu Jun.  (2017)  Ratiometric ultrasensitive fluorometric detection of ascorbic acid using a dually emitting CdSe@SiO2@CdTe quantum dot hybrid.  MICROCHIMICA ACTA,  185  (1): (1-8).  [PMID:29594382] [10.1007/s00604-017-2557-9]

5. Mingzhe Li, Yuyang Zhou, Hua Zhou, Dingqiang Lu.  (2025)  Catalytic synthesis of vitamin E acetate using metal organic framework material ZIF-8.  JOURNAL OF COORDINATION CHEMISTRY,      [PMID:] [10.1080/00958972.2025.2458650]

6. Wanling Chen, Nanxi Xiang, Jiahong Huang, Huixian Xu, Zhenyuan Wang, Bo Ruan, Jichuan Zhang, Chengyu Wu, Jiaheng Zhang, YanZhen Liang.  (2024)  Supramolecular collagen nanoparticles for anti-wrinkle, skin whitening, and moisturizing effects.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:39383579] [10.1016/j.colsurfb.2024.114275]

7. Huixian Xu, Rui Ye, Ye Zhong, Wanling Chen, Jichuan Zhang, Zhenyuan Wang, Le Du, Fan Hu, Chengyu Wu, Jiaheng Zhang.  (2025)  Retinoid-loaded ionic liquid nanoparticles: Decreased irritation, enhanced transdermal delivery and synergistic anti-wrinkle.  Applied Materials Today,      [PMID:] [10.1016/j.apmt.2025.102735]

8. Xuanrong Bao, Hanbing Hu, Yu Dun, Yuedong Tang, Fuli Liu, Jian Zhou, Weichun Mo, Jie Shen.  (2025)  A mouse model of E-cigarette or vaping product use-associated lung injury (EVALI) induced by nose-only exposure to aerosolized vitamin E acetate and associated macrophage dysfunction.  RESPIRATORY RESEARCH,      [PMID:40887642] [10.1186/s12931-025-03343-1]