1-Tridecanol - ≥97% , CAS No.112-70-9

CAS: 112-70-9 Cat. No.: T105003 Peso molecular: 200.36 Beilstein Registry Number: 1739991 Número EC: 203-998-8 PubChem CID: 8207

GRADE & PURITY ≥97%

Synonyms

1-Tridecanol, 97% | DTXCID901947 | TRIDECYL ALCOHOL [INCI] | NCGC00254162-01 | Tridecyl alcohol | 1-Tridecanol, purum, >=98.0% (GC) | NCGC00164019-02 | NCGC00164019-01 | NCGC00259757-01 | Tridecanol | 8I9428H868 | BIDD:ER0306 | Tridecan-1-ol | AKOS0052672

Storage

Room temperature

Shipped In

Normal

Application

228,229

Specifications

Sinónimos

1-Tridecanol, 97% | DTXCID901947 | TRIDECYL ALCOHOL [INCI] | NCGC00254162-01 | Tridecyl alcohol | 1-Tridecanol, purum, >=98.0% (GC) | NCGC00164019-02 | NCGC00164019-01 | NCGC00259757-01 | Tridecanol | 8I9428H868 | BIDD:ER0306 | Tridecan-1-ol | AKOS0052672

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488180729
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180729
• Sonrisas canónicas: CCCCCCCCCCCCCO
• IUPAC Name: tridecan-1-ol
• InChIKey: XFRVVPUIAFSTFO-UHFFFAOYSA-N
• INCHI: 1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
• Isómeros SMILES: CCCCCCCCCCCCCO
• WGK Alemania: 3
• RTECS: YD4200000
• PubChem CID: 8207
• Peso molecular: 200.36
• Beilstein: 1739991
• Reaxy-Rn: 1739991

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: Fatty alcohols

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 (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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

Cutibacterium acnes (887 Activities)

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

Bursaphelenchus xylophilus (372 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: Insoluble in water; Soluble in Ether,Ethanol
• Punto de congelación (°C): 31 °C
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): >113 °C
• Punto de ebullición (°C): 155-156°C
• Punto de fusión (°C): 29-34°C
• Peso molecular: 200.360 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 200.214 Da
• Monoisotopic Mass: 200.214 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 91.200
• 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. Yanmei Xi, Sana Ikram, Tong Zhao, Yiwei Shao, Ruirui Liu, Fuhang Song, Baoguo Sun, Nasi Ai.  (2023)  2-Heptanone, 2-nonanone, and 2-undecanone confer oxidation off-flavor in cow milk storage.  JOURNAL OF DAIRY SCIENCE,      [PMID:37641261] [10.3168/jds.2022-23056]

2. Yu Han, Guohua Ma, Kai Zhang, Runcai Xu, Ning Xin, Jingtong An, Ning Wang, Yantao Li.  (2026)  Zn(II)-adjuvanted imidazole-based lipid nanoparticles for potent spleen-targeted mRNA delivery and enhanced immune activation.  JOURNAL OF CONTROLLED RELEASE,      [PMID:41720271] [10.1016/j.jconrel.2026.114742]