Docosane-1,22-diol - ≥98% , CAS No.22513-81-1

CAS: 22513-81-1 Cat. No.: D588244 Molecular Weight: 342.6

GRADE & PURITY ≥98%

Synonyms

1,22-Docosanediol | docosane-1,22-diol | AMY038 | MFCD30470109 | A937491 | DTXSID00324197 | NSC405997 | NSC-405997 | 1,22-hexadecanediol | E83882 | SCHEMBL472790 | SY296065 | BS-47588

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

1, 22-Docosanediol | docosane-1, 22-diol | AMY038 | MFCD30470109 | A937491 | DTXSID00324197 | NSC405997 | NSC-405997 | 1, 22-hexadecanediol | E83882 | SCHEMBL472790 | SY296065 | BS-47588

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758544
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758544
• Canonical Smiles: C(CCCCCCCCCCCO)CCCCCCCCCCO
• IUPAC Name: docosane-1,22-diol
• InChIKey: HIBKFQRBONXURO-UHFFFAOYSA-N
• INCHI: 1S/C22H46O2/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24/h23-24H,1-22H2
• Isomeric SMILES: C(CCCCCCCCCCCO)CCCCCCCCCCO
• NSC Number: NSC Number': ['405997
• Molecular Weight: 342.6
• Reaxy-Rn: 1777004
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1777004&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: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - 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

Associated Targets(non-human)

Aspergillus fumigatus (16427 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cryptococcus neoformans (21258 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 342.600 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 342.35 Da
• Monoisotopic Mass: 342.35 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 184.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yanqing Wang, Weidong Liang, Jiyan Li, Hanxue Sun, An Li.  (2025)  Alkane diols as a new organic phase change material encapsulated in densely packed and stacked carbonized microspheres for thermal energy storage.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA07136D]