Methyl 3-hydroxydecanoate - ≥98% , CAS No.62675-82-5

CAS: 62675-82-5 Cat. No.: M274751 Formula: C₁₁H₂₂O₃ Molecular Weight: 202.29

GRADE & PURITY ≥98%

Synonyms

SB50162 | Methyl ester of 3-hydroxydecanoic acid | 3-hydroxy Decanoic Acid methyl ester | FT-0669510 | r-(3)-Hydroxydecanoic acid,methyl ester | Methyl 3-hydroxydecanoate # | DL-2-HYDROXYDECANOICACIDMETHYLESTER | FT-0695823 | PD077431 | rac 3-Hydroxydecan

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

Synonyms

SB50162 | Methyl ester of 3-hydroxydecanoic acid | 3-hydroxy Decanoic Acid methyl ester | FT-0669510 | r-(3)-Hydroxydecanoic acid,methyl ester | Methyl 3-hydroxydecanoate # | DL-2-HYDROXYDECANOICACIDMETHYLESTER | FT-0695823 | PD077431 | rac 3-Hydroxydecan

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

3-Hydroxy fatty acid methyl ester. For use as standard and possible use in biological systems.

Storage

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.

Purity

≥98%

Names and Identifiers

Canonical Smiles

CCCCCCCC(CC(=O)OC)O

IUPAC Name

methyl 3-hydroxydecanoate

InChIKey

UBVACUZVNTVHTE-UHFFFAOYSA-N

INCHI

1S/C11H22O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h10,12H,3-9H2,1-2H3

Isomeric SMILES

CCCCCCCC(CC(=O)OC)O

Molecular Weight

202.29

Reaxy-Rn

1770390

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1770390&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Fatty acid methyl esters Beta hydroxy acids and derivatives Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Beta-hydroxy acid - Fatty acid ester - Fatty acid methyl ester - Hydroxy acid - Methyl ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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: Soluble in ethanol
• Molecular Weight: 202.290 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 202.157 Da
• Monoisotopic Mass: 202.157 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 145.000
• 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