3-Hydroxytridecanoic acid - ≥98% , CAS No.32602-69-0

CAS: 32602-69-0 Cat. No.: H276461 Molecular Weight: 230.34

GRADE & PURITY ≥98%

Synonyms

DTXSID10954328 | 3-HYDROXYTRIDECANOICACID | PD060891 | 3-hydroxytridecanoic acid | 3-hydroxy-tridecanoic acid | LMFA01050172 | SCHEMBL310749 | Tridecanoic acid, 3-hydroxy- | F87894 | 13:0(3-OH) | MFCD00210305 | AKOS027380550 | CHEBI:177435

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

DTXSID10954328 | 3-HYDROXYTRIDECANOICACID | PD060891 | 3-hydroxytridecanoic acid | 3-hydroxy-tridecanoic acid | LMFA01050172 | SCHEMBL310749 | Tridecanoic acid, 3-hydroxy- | F87894 | 13:0(3-OH) | MFCD00210305 | AKOS027380550 | CHEBI:177435

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

3-Hydroxy fatty acid. LPS component. Use as standard, in analysis and biological systems.s

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195319
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195319
• Canonical Smiles: CCCCCCCCCCC(CC(=O)O)O
• IUPAC Name: 3-hydroxytridecanoic acid
• InChIKey: CWSNHZHHWHLJIM-UHFFFAOYSA-N
• INCHI: 1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-12(14)11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
• Isomeric SMILES: CCCCCCCCCCC(CC(=O)O)O
• Molecular Weight: 230.34
• Reaxy-Rn: 1776692
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1776692&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Methyl-branched fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Beta-hydroxy acid - Branched fatty acid - Methyl-branched fatty acid - Hydroxy fatty acid - Hydroxy acid - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Hydroxy fatty acids

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: 230.340 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 230.188 Da
• Monoisotopic Mass: 230.188 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 169.000
• 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