Methyl 12-hydroxystearate - ≥99%(GC) , CAS No.141-23-1

CAS: 141-23-1 Cat. No.: M465613 Molecular Weight: 314.51 EC Number: 205-471-8

GRADE & PURITY ≥99%(GC)

Synonyms

methyl 12-hydroxyoctadecanate | Methyl 12-hydroxystearate, United States Pharmacopeia (USP) Reference Standard | AKOS015913955 | Q27286334 | 12-Hydroxyoctadecanoic acid, methyl ester | METHYL 12-HYDROXYSTEARATE [HSDB] | METHYL 12-HYDROXYSTEARATE [USP-RS]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

methyl 12-hydroxyoctadecanate | Methyl 12-hydroxystearate, United States Pharmacopeia (USP) Reference Standard | AKOS015913955 | Q27286334 | 12-Hydroxyoctadecanoic acid, methyl ester | METHYL 12-HYDROXYSTEARATE [HSDB] | METHYL 12-HYDROXYSTEARATE [USP-RS]

Specifications & Purity

≥99%(GC)

Biochemical and Physiological Mechanisms

Methyl 12-hydroxystearate is a methyl esterified fatty acid used as a reference for the identification and quantification of 12-hydroxystearic acid, a molecular organogelator, found in tissues, membranes, synthetic molecular gels and copolymers.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 504751743
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751743
• Canonical Smiles: CCCCCCC(CCCCCCCCCCC(=O)OC)O
• IUPAC Name: methyl 12-hydroxyoctadecanoate
• InChIKey: RVWOWEQKPMPWMQ-UHFFFAOYSA-N
• INCHI: 1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3
• Isomeric SMILES: CCCCCCC(CCCCCCCCCCC(=O)OC)O
• WGK Germany: 3
• RTECS: WI4200000
• Molecular Weight: 314.51
• Reaxy-Rn: 1727549
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727549&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 Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Fatty acid methyl ester - Fatty acid ester - Methyl 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 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20D1.46 (Predicted)
• Boil Point(°C): ~400.0° C at 760 mmHg (Predicted)
• Melt Point(°C): 47.8° C
• Molecular Weight: 314.500 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 314.282 Da
• Monoisotopic Mass: 314.282 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 241.000
• 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