Tetradecyl Acrylate (stabilized with MEHQ) - ≥95%(GC) , CAS No.21643-42-5

CAS: 21643-42-5 Cat. No.: T161520 Molecular Weight: 268.44 Beilstein Registry Number: 2(4)1468 EC Number: 244-491-1 PubChem CID: 88984

GRADE & PURITY ≥95%(GC)

Synonyms

2-Propenoic acid, tetradecyl ester | Acrylic Acid Tetradecyl Ester | Tetradecyl acrylate | tetradecyl prop-2-enoate | Tetradecyl Acrylate (stabilized with MEHQ) | tetradecylacrylate | 2-Propenoic acid, n-tetradecyl ester

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Propenoic acid, tetradecyl ester | Acrylic Acid Tetradecyl Ester | Tetradecyl acrylate | tetradecyl prop-2-enoate | Tetradecyl Acrylate (stabilized with MEHQ) | tetradecylacrylate | 2-Propenoic acid, n-tetradecyl ester

Specifications & Purity

≥95%(GC)

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCOC(=O)C=C
• IUPAC Name: tetradecyl prop-2-enoate
• InChIKey: XZHNPVKXBNDGJD-UHFFFAOYSA-N
• INCHI: 1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4H,2-3,5-16H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCOC(=O)C=C
• PubChem CID: 88984
• Molecular Weight: 268.44
• Beilstein: 2(4)1468
• Reaxy-Rn: 1784662

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty alcohol esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Acrylic acid esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Acrylic acid ester - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
• 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

• Sensitivity: Light sensitive
• Refractive Index: 1.45
• Boil Point(°C): 138 °C/0.4 mmHg
• Melt Point(°C): 14°C(lit.)
• Molecular Weight: 268.400 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 268.24 Da
• Monoisotopic Mass: 268.24 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

References

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