Phytanic acid - Moligand™, ≥96%, mixture of isomers , CAS No.14721-66-5

CAS: 14721-66-5 Cat. No.: P464170 分子式: C₂₀H₄₀O₂ 分子量: 312.53 Beilstein Registry Number: 1789963 EC番号: 630-841-4 PubChem CID: 26840

GRADE & PURITY Moligand™, ≥96%, mixture of isomers

Synonyms

NSC 108698 | BDBM119875 | UNII-8OYE5TF5VL | HY-113067 | 3,7,11,15-tetramethyl-1-hexadecanoic acid | NSC 108698 | AS-82571 | J-008329 | SCHEMBL7888 | C01607 | 8OYE5TF5VL | 3,7,11,15-tetramethylhexadecoanoate | Phytanate | DTXSID80864526 | Phytanoic acid |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

NSC 108698 | BDBM119875 | UNII-8OYE5TF5VL | HY-113067 | 3,7,11,15-tetramethyl-1-hexadecanoic acid | NSC 108698 | AS-82571 | J-008329 | SCHEMBL7888 | C01607 | 8OYE5TF5VL | 3,7,11,15-tetramethylhexadecoanoate | Phytanate | DTXSID80864526 | Phytanoic acid |

仕様と純度

Moligand™, ≥96%, mixture of isomers

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥96%

名前と識別子

• カノニカル・スマイル: CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O
• IUPAC Name: 3,7,11,15-tetramethylhexadecanoic acid
• InChIKey: RLCKHJSFHOZMDR-UHFFFAOYSA-N
• INCHI: 1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
• 異性体SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O
• WGKドイツ: 3
• PubChem CID: 26840
• 分子量: 312.53
• Beilstein: 1789963

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic diterpenoids
• Alternative Parents: Long-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic diterpenoid - Long-chain fatty acid - Methyl-branched fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.
• External Descriptors: Acyclic diterpenoids

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

関連ターゲット（人間）

RXRA Tclin Retinoic acid receptor RXR-alpha (0 Activities)

Discover Target: RXRA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

作用メカニズム

化学的性質と物理的性質

• 溶解度: 0.15 M Tris-HCl pH 8.5: >1 mg/ml (from Oleic Acid),DMF: >100 mg/ml (from Oleic Acid),DMSO: >100 mg/ml (from Oleic Acid),Ethanol: >100 mg/ml (from Oleic Acid),PBS pH 7.2: <100 µ g/ml (from Oleic Acid)
• 屈折率: n20D1.45 (Predicted)
• 沸点（°C）: 78° C
• 分子量: 312.500 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 312.303 Da
• Monoisotopic Mass: 312.303 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Jiyan Li, Guoyu Xing, Min Qiao, Silu Du, Tao Zhou, Shuo Gao, Hanxue Sun, Rui Jiao, An Li.  (2024)  Composite porous 3D foam for solar-driven atmospheric water harvesting in low humidity natural environment.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.151543]

2. Yingting Yin, Wei Li, Mao Feng, Xiaodong Hu, Jiarong Niu, Jinbo Yao.  (2025)  Fabrication of Flame-Retardant and Anti-dripping Waterborne Polyurethane Containing Phosphorus/Silicon via a Green and Feasible Strategy.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c09232]

3. Guiyun Huang, Jia Liu, Hanxiao Zhang, Wei Zhang, Yong Deng, Jiulong Sha.  (2024)  A double-gradient structured hydrogel for an efficient moisture-electric generator.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.158878]

4. Jinghang Zhu, Jiahao Shen, Haitong Zhao, Honghong Luo, Yiqun Fang, Weihong Wang, Yongming Song, Qingwen Wang.  (2025)  A bio-based P/N/S composite intumescent flame retardant for enhancing flame retardancy and smoke suppression of wood flour polypropylene composites.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.129387]

よくある質問

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 14721-66-5, the molecular formula is C20H40O2, and the molecular weight is 312.53 g/mol. InChIKey RLCKHJSFHOZMDR-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.