1-Docosanol - ≥98%,mixture of isomers(C18+C20+C22) , CAS No.661-19-8

CAS: 661-19-8 Cat. No.: D113391 Molecular Weight: 326.6 Beilstein Registry Number: 1770470 EC Number: 211-546-6

GRADE & PURITY ≥98%, mixture of isomers(C18+C20+C22)

Synonyms

A3D72D45-625E-49B5-B0FC-394010B3485D | AKOS015902887 | Behenic alcohol | LMFA05000008 | Loxiol VPG 1451 | n-Docosan-1-ol | Erazaban | Stenol 1822A | MFCD00002939 | NCGC00159370-05 | NSC8407 | NSC-8407 | CCG-213539 | DOCOSANOL [II] | DOCOSANOL [MART.] | SR

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A3D72D45-625E-49B5-B0FC-394010B3485D | AKOS015902887 | Behenic alcohol | LMFA05000008 | Loxiol VPG 1451 | n-Docosan-1-ol | Erazaban | Stenol 1822A | MFCD00002939 | NCGC00159370-05 | NSC8407 | NSC-8407 | CCG-213539 | DOCOSANOL [II] | DOCOSANOL [MART.] | SR

Specifications & Purity

≥98%, mixture of isomers(C18+C20+C22)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCCCCCCCO
• IUPAC Name: docosan-1-ol
• InChIKey: NOPFSRXAKWQILS-UHFFFAOYSA-N
• INCHI: 1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCO
• Molecular Weight: 326.6
• Beilstein: 1770470
• Reaxy-Rn: 1770470
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1770470&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: a long-chain alcohol - a primary alcohol - a fatty alcohol

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(Human)

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 180°C
• Melt Point(°C): 68-72°C
• Molecular Weight: 326.600 g/mol
• XLogP3: 10.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 20
• Exact Mass: 326.355 Da
• Monoisotopic Mass: 326.355 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 190.000
• 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. Haoran Zhou, Luan Wen, Liwu Lin, Zhongrong Li, Minghua Qiu.  (2023)  Refined waxy product from the residues of pyrethrins processing: contents, compositions and skin-whitening effects.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2023.117564]

2. Xin Zhang, Yiming Zhao, Wenjuan Li, Yun Zhang, Siyu Xu, Sen Xu, Wen Zhou, Yizheng Fu, Yongan Feng, Weiguo Cao.  (2022)  Combustion characteristics of three linear monohydric alcohols CH3(CH2)n-1OH (n = 16, 18, 22): Combined ignition experiments and molecular dynamics simulations.  FUEL,      [PMID:] [10.1016/j.fuel.2022.127264]

3. Yongzhen Wang, Songquan Wu, Xingru Yan, Tao Ma, Lu Shao, Yuyan Liu, Zhanhu Guo.  (2016)  Alkyl bicarbamates supramolecular organogelators with effective selective gelation and high oil recovery from oil/water mixtures.  CHEMOSPHERE,      [PMID:27718430] [10.1016/j.chemosphere.2016.09.149]

4. Liping Li, Qiuxia Zhang, Hong Huo, Jianjun Zhou, Lin Li.  (2016)  Glutamic acid derivatives as gelators for electrolyte of lithium ion batteries.  RSC Advances,  6  (91): (88820-88825).  [PMID:] [10.1039/C6RA18638F]

5. Songbai Liu, Yuanqing Fu, Si Nian.  (2014)  Buffering colour fluctuation of purple sweet potato anthocyanins to acidity variation by surfactants.  FOOD CHEMISTRY,      [PMID:24874351] [10.1016/j.foodchem.2014.04.029]

6. Yankai Zhang, Chenxi Zhu, Haoyi Wang, Yunbiao Qi, Ping Sun, Quanxing Zhang, Wei Jiang.  (2025)  Efficient continuous waste PLLA degradation via stearyl alcohol-mediated transesterification catalyzed by tin(II) octadecyl alkoxide.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.167298]

7. Shilin Liu, Gaiqing Zhao, Junming Liu, Zhihuan Wang, Qianqian Zhu, Xiaobo Wang, Zhuang Xu.  (2026)  Enhanced tribological and conductive properties of supramolecular gels via CuS@MXene nanohybrids.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2026.166068]