1,16-Hexadecanediol - ≥95%(GC) , CAS No.7735-42-4

CAS: 7735-42-4 Cat. No.: H157401 Fórmula: C₁₆H₃₄O₂ Peso molecular: 258.45 Beilstein Registry Number: 1811930 Número EC: 231-794-9

GRADE & PURITY ≥95%(GC)

Synonyms

AS-57115 | DTXSID7064788 | UNII-Z799LHM79S | SCHEMBL318857 | 1,16 Hexadecandiol | 1,16-Dihydroxyhexadecane | CHEBI:195244 | Aminopterine | H0552 | 1,16-Hexadecanediol, 97% | Z799LHM79S | QSPL 082 | alpha,omega-hexadecanediol | Decanamide, N-((4-hydroxy-3-

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

AS-57115 | DTXSID7064788 | UNII-Z799LHM79S | SCHEMBL318857 | 1,16 Hexadecandiol | 1,16-Dihydroxyhexadecane | CHEBI:195244 | Aminopterine | H0552 | 1,16-Hexadecanediol, 97% | Z799LHM79S | QSPL 082 | alpha,omega-hexadecanediol | Decanamide, N-((4-hydroxy-3-

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 488186063
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186063
• Sonrisas canónicas: C(CCCCCCCCO)CCCCCCCO
• IUPAC Name: hexadecane-1,16-diol
• InChIKey: GJBXIPOYHVMPQJ-UHFFFAOYSA-N
• INCHI: 1S/C16H34O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2
• Isómeros SMILES: C(CCCCCCCCO)CCCCCCCO
• WGK Alemania: 3
• Peso molecular: 258.45
• Beilstein: 1811930
• Reaxy-Rn: 1811931
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1811931&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long chain fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: 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: a small molecule

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

Objetivos asociados (no humanos)

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)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in hot Methanol almost transparency
• Punto de ebullición (°C): 200°C/4mmHg(lit.)
• Punto de fusión (°C): 90-94°C
• Peso molecular: 258.440 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 258.256 Da
• Monoisotopic Mass: 258.256 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 121.000
• 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

Referencias

1. Zixing Xu, Huoyue Lin, Jie Dai, Xiaowei Wen, Xiaoya Yu, Can Xu, Gang Ruan.  (2024)  Protein-nanoparticle co-assembly supraparticles for drug delivery: Ultrahigh drug loading and colloidal stability, and instant and complete lysosomal drug release.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:38759741] [10.1016/j.ijpharm.2024.124231]

2. 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]

3. Zou Lie, Huang Xiao-Yan, Zhang Yi, A Yao-Lin, Xu Qing-Chi, Chen Bing-Hui, Liu Jinxuan, Zhang Hua, Li Jian-Feng.  (2026)  In Situ Raman Spectroscopy Correlates *OOH Intermediates with Oxygen Reduction Activity on Pt-Based Nanocatalysts.  ACS Applied Materials & Interfaces,  18  (31): (42780-42788).  [PMID:42587438] [10.1021/acsami.6c12246]

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 7735-42-4, the molecular formula is C16H34O2, and the molecular weight is 258.45 g/mol. InChIKey GJBXIPOYHVMPQJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.