Tetradecanedioic acid - 10mM in DMSO , CAS No.821-38-5

CAS: 821-38-5 Cat. No.: T426124 Fórmula: C₁₄H₂₆O₄ Peso molecular: 258.35 Beilstein Registry Number: 1788202 Número EC: 212-476-9 PubChem CID: 13185

GRADE & PURITY 10mM in DMSO

Synonyms

1,12-DICARBOXYDODECANE | 1,12-Dodecanedicarboxylic acid | AS-14872 | Dodecamethylenedicarboxylic acid | tetradecanedioicacid | W-104185 | 1,12-Dodecanedicarboxylate | EN300-123432 | 1,14-Tetradecanedioic acid;Tetradecane-1,14-dioic acid;1,12-Dodecanedicar

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Mainly used in synthetic fragrances, synthetic high-grade engineering plastic nylon 1414, hot melt and coatings.

Specifications

Sinónimos

1,12-DICARBOXYDODECANE | 1,12-Dodecanedicarboxylic acid | AS-14872 | Dodecamethylenedicarboxylic acid | tetradecanedioicacid | W-104185 | 1,12-Dodecanedicarboxylate | EN300-123432 | 1,14-Tetradecanedioic acid;Tetradecane-1,14-dioic acid;1,12-Dodecanedicar

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Pubchem Sid: 528770272
• Sonrisas canónicas: C(CCCCCCC(=O)O)CCCCCC(=O)O
• IUPAC Name: tetradecanedioic acid
• InChIKey: HQHCYKULIHKCEB-UHFFFAOYSA-N
• INCHI: 1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
• Isómeros SMILES: C(CCCCCCC(=O)O)CCCCCC(=O)O
• WGK Alemania: 3
• PubChem CID: 13185
• Peso molecular: 258.35
• Beilstein: 1788202
• Reaxy-Rn: 1788202

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Dicarboxylic acids

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

Propiedades químicas y físicas

• Punto de fusión (°C): 126-128°C
• Peso molecular: 258.350 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 258.183 Da
• Monoisotopic Mass: 258.183 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 202.000
• 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. Rui Dong, Ping Wen, Shuai Zhang, Chaoyang Zhang, Wenjing Sun, Mingjin Fan, Desuo Yang, Feng Zhou, Weimin Liu.  (2017)  The synthesis and tribological properties of dicarboxylic acid ionic liquids.  TRIBOLOGY INTERNATIONAL,      [PMID:] [10.1016/j.triboint.2017.04.012]

2. Yaobin Liu, Zhiqiang Fan.  (2015)  Well-defined gels prepared by radical addition-coupling polymerization.  DESIGNED MONOMERS AND POLYMERS,      [PMID:] [10.1080/15685551.2014.999465]

3. Yaqiao Li, Lingxiao Li, Yanzhong Hao, Jingxuan Zhang, Cuiyun Liu, Erwei Zhao, XianBao Shi, Xiaohui Pu, Jin Sun, Zhonggui He, Bingjun Sun.  (2024)  Optimizing structural design in SN38 delivery: More assembly stability and activation efficiency.  Nano Today,      [PMID:] [10.1016/j.nantod.2024.102450]

4. Xiangli Meng, Qing He, Tetiana Hryhorenko.  (2025)  Synthesis and Modifying Effect of Oligoesters with Reactive Groups Based on Epoxy Aliphatic Resin and Oligoester Dicarboxylic Acids.  Polymers,  17  (4): (433).  [PMID:40006095] [10.3390/polym17040433]

5. Shiyi Zuo, Tian Liu, Lingxiao Li, Hezhen Xu, Jiayu Guo, Qing Wang, Yinxian Yang, Zhonggui He, Jin Sun, Bingjun Sun.  (2024)  Tetrasulfide bond boosts the anti-tumor efficacy of dimeric prodrug nanoassemblies.  Cell Reports Medicine,      [PMID:38387464] [10.1016/j.xcrm.2024.101432]

6. Mengru Ding, Lingling Ni, Ying Zheng, Bao Wang, Chengtao Yu, Guorong Shan, Yongzhong Bao, Junfeng Liu, Pengju Pan.  (2025)  Hexagonal and Orthorhombic Crystal Formations in Ethylene Glycol-Based Long-Spaced Aliphatic Polyesters Driven by Layer Packing of Proximate Ester Groups.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.4c02956]

7. Xiaolei Zhang, Xiaofei Sun, Lintong Zhou, Le Chang, Yan Zhang, Yingxia Zong, Jingjiang Sun, Qingfu Wang.  (2025)  Preparation of Polyester Microspheres by Passerini Three-Component Dispersion Polymerization in Water.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.5c00071]