Methyl 3-Hydroxyhexadecanoate - ≥95% , CAS No.51883-36-4

CAS: 51883-36-4 Cat. No.: M338877 Summenformel: C₁₇H₃₄O₃ Molekulargewicht: 286.45 Beilstein Registry Number: 1873750

GRADE & PURITY ≥95%

Synonyms

Hexadecanoic acid, 3-hydroxy-, methyl ester | Methyl 3-hydroxyhexadecanoate # | DTXSID20966210 | 3-Hydroxy C16:0 methyl ester | PD053836 | METHYL D(-)-3-HYDROXYHEXADECANOATE | YBTWUESFQWFDMR-UHFFFAOYSA-N | 3-HYDROXYHEXADECANOIC ACID METHYL ESTER | AKOS027

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

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

Specifications

Synonyme

Hexadecanoic acid, 3-hydroxy-, methyl ester | Methyl 3-hydroxyhexadecanoate # | DTXSID20966210 | 3-Hydroxy C16:0 methyl ester | PD053836 | METHYL D(-)-3-HYDROXYHEXADECANOATE | YBTWUESFQWFDMR-UHFFFAOYSA-N | 3-HYDROXYHEXADECANOIC ACID METHYL ESTER | AKOS027

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504756546

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756546

Kanonisches Lächeln

CCCCCCCCCCCCCC(CC(=O)OC)O

IUPAC Name

methyl 3-hydroxyhexadecanoate

InChIKey

YBTWUESFQWFDMR-UHFFFAOYSA-N

INCHI

1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3

Isomere SMILES

CCCCCCCCCCCCCC(CC(=O)OC)O

WGK Deutschland

3

Molekulargewicht

286.45

Beilstein

1873750

Reaxy-Rn

1873750

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1873750&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain 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: Long chain 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
• Beschreibung: This compound belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.
• External Descriptors: fatty acid methyl ester

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol, and ethanol.
• Brechungsindex: n20D1.45 (Predicted)
• Siedepunkt (°C): >300° C
• Schmelzpunkt (°C): 43-45° C
• Molekulargewicht: 286.400 g/mol
• XLogP3: 6.100
• 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