1-Tridecanol - ≥97% , CAS No.112-70-9

CAS: 112-70-9 Cat. No.: T105003 Molecular Weight: 200.36 Beilstein Registry Number: 1739991 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488180729
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180729
• Canonical Smiles: 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
• Isomeric SMILES: CCCCCCCCCCCCCO
• WGK Germany: 3
• RTECS: YD4200000
• PubChem CID: 8207
• Molecular Weight: 200.36
• Beilstein: 1739991
• Reaxy-Rn: 1739991

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: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Cutibacterium acnes (887 Activities)

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Bursaphelenchus xylophilus (372 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Soluble in Ether,Ethanol
• Freezing Point(°C): 31 °C
• Flash Point(°F): >235.4 °F
• Flash Point(°C): >113 °C
• Boil Point(°C): 155-156°C
• Melt Point(°C): 29-34°C
• Molecular Weight: 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

References

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]