Rac-Tocol - ≥95%,50 mg/ml in hexane , CAS No.119-98-2

CAS: 119-98-2 Cat. No.: R276056 Molecular Weight: 388.63 PubChem CID: 9865117

GRADE & PURITY ≥95%, 50 mg/ml in hexane

Synonyms

2H-1-Benzopyran-6-ol, 3,4-dihydro-2-methyl-2-(4,8,12-trimethyltridecyl)- | DFUSDJMZWQVQSF-UHFFFAOYSA-N | Desmethyltocopherol | 2-Methyl-2-(4,8,12-trimethyltridecyl)-6-chromanol | UNII-S2XEE7OB8X | 2-Methyl-2-phytyl-6-chromanol | S2XEE7OB8X | 2-methyl-2-(4

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

rac-Tocol is a synthetic vitamin E derivative.nlike (±)-α-tocopherol, rac-Tocol does not suppress retinol-induced erythrocyte hemolysis or increase microviscosity of rat liver phosphatidylcholine (PC) liposomes

Specifications

Synonyms

2H-1-Benzopyran-6-ol, 3, 4-dihydro-2-methyl-2-(4, 8, 12-trimethyltridecyl)- | DFUSDJMZWQVQSF-UHFFFAOYSA-N | Desmethyltocopherol | 2-Methyl-2-(4, 8, 12-trimethyltridecyl)-6-chromanol | UNII-S2XEE7OB8X | 2-Methyl-2-phytyl-6-chromanol | S2XEE7OB8X | 2-methyl-2-(4

Specifications & Purity

≥95%, 50 mg/ml in hexane

Biochemical and Physiological Mechanisms

Internal standard for tocopherols and tocotrienols

Storage

Protected from light, Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)O)C
• IUPAC Name: 2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
• InChIKey: DFUSDJMZWQVQSF-UHFFFAOYSA-N
• INCHI: 1S/C26H44O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h14-15,19-22,27H,6-13,16-18H2,1-5H3
• Isomeric SMILES: CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)O)C
• PubChem CID: 9865117
• Molecular Weight: 388.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpenoids
• Alternative Parents: 1-benzopyrans Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diterpenoid - 1-benzopyran - Benzopyran - Chromane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
• 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

Chemical and Physical Properties

• Solubility: Supplied in hexane (50 mg/mL). Also soluble in ethanol.
• Sensitivity: light sensitive
• Molecular Weight: 388.600 g/mol
• XLogP3: 9.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 388.334 Da
• Monoisotopic Mass: 388.334 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 421.000
• 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