Tetradecyl Lactate - ≥75%(GC) , CAS No.1323-03-1

CAS: 1323-03-1 Cat. No.: T161446 Molecular Weight: 286.46 Beilstein Registry Number: 3(4)660 EC Number: 215-350-1 PubChem CID: 64676

GRADE & PURITY ≥75%(GC)

Synonyms

Ceraphyl 50 | Propanoic acid, 2-hydroxy-, tetradecyl ester | Myristyl lactate | MYRISTYL LACTATE, (+/-)- | 2-Hydroxypropanoic acid, tetradecyl ester | DTXSID50862630 | Tetradecyl lactate | AI3-14482 | MYRISTYL LACTATE [II] | Tetradecyl 2-Hydroxypropionate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Ceraphyl 50 | Propanoic acid, 2-hydroxy-, tetradecyl ester | Myristyl lactate | MYRISTYL LACTATE, (+/-)- | 2-Hydroxypropanoic acid, tetradecyl ester | DTXSID50862630 | Tetradecyl lactate | AI3-14482 | MYRISTYL LACTATE [II] | Tetradecyl 2-Hydroxypropionate

Specifications & Purity

≥75%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥75%(GC)

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCOC(=O)C(C)O
• IUPAC Name: tetradecyl 2-hydroxypropanoate
• InChIKey: BORJONZPSTVSFP-UHFFFAOYSA-N
• INCHI: 1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h16,18H,3-15H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCCCCOC(=O)C(C)O
• PubChem CID: 64676
• Molecular Weight: 286.46
• Beilstein: 3(4)660
• Reaxy-Rn: 1786269

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: Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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

• Refractive Index: 1.44
• Melt Point(°C): 23 °C
• Molecular Weight: 286.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 286.251 Da
• Monoisotopic Mass: 286.251 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 216.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1