10,12-Pentacosadiynoic acid - ≥97% , CAS No.66990-32-7

CAS: 66990-32-7 Cat. No.: P111068 Peso molecular: 374.6 Beilstein Registry Number: 4189973 Número EC: 614-006-1

GRADE & PURITY ≥97%

Synonyms

10,12-Pentacosadiynoic acid, >=97.0% (HPLC) | 10-12-Pentacosadiynoic acid | pentacosa-10,12-diynoic acid | 10,12-Pentacosadiynoic acid | AKOS001016092 | D92058 | FT-0607183 | AMY3274 | Z56760628 | -;10,12-Pentacosadiynoic acid | DTXSID20337082 | AS-59405

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

10, 12-Pentacosadiynoic acid, >=97.0% (HPLC) | 10-12-Pentacosadiynoic acid | pentacosa-10, 12-diynoic acid | 10, 12-Pentacosadiynoic acid | AKOS001016092 | D92058 | FT-0607183 | AMY3274 | Z56760628 | -;10, 12-Pentacosadiynoic acid | DTXSID20337082 | AS-59405

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O
• IUPAC Name: pentacosa-10,12-diynoic acid
• InChIKey: ZPUDRBWHCWYMQS-UHFFFAOYSA-N
• INCHI: 1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-12,17-24H2,1H3,(H,26,27)
• Isómeros SMILES: CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O
• WGK Alemania: 3
• Peso molecular: 374.6
• Beilstein: 4189973
• Reaxy-Rn: 4189973
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4189973&ln=

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: Very long-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Very long-chain fatty acid - Unsaturated fatty acid - Straight chain 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
• Descripción: This compound belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.
• External Descriptors: Not available

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

• Solubilidad: Slightly soluble in water
• Sensibilidad: light sensitive；Air sensitive
• Punto de fusión (°C): 62-65°C
• Peso molecular: 374.600 g/mol
• XLogP3: 9.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 374.318 Da
• Monoisotopic Mass: 374.318 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 466.000
• 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. Linhui Fu, Chen Hou.  (2023)  A polydiacetylene-based smart cellulose aerogel functionalized by ZnO/MoS2 heterojunction for simultaneous visual detection and photocatalytic degradation of gaseous VOCs.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.123512]

2. Tao Chunxu, Wang Junyan, Zhu Ying, Ding Chao, Shen Zhuoyue, Sun Danni, Cao Shanshan, Jiang Xinrong, Li Yaqi, Liu Chang, Zhang Qi, Li Shijie, Zhang Xinyan, Shi Qiaoqiao, Kong Dezhao.  (2024)  A highly sensitive fluorescence biosensor for aflatoxins B1 detection based on polydiacetylene liposomes combined with exonuclease III-assisted recycling amplification.  MICROCHIMICA ACTA,  191  (7): (1-12).  [PMID:38877314] [10.1007/s00604-024-06482-2]

3. Dafaallah Albashir, Hongyun Lu, Mostafa Gouda, Dev Raj Acharya, Umar Abdulbaki Danhassan, Abdelmoneim Bakur, Ying Shi, Qihe Chen.  (2024)  A novel polydiacetylene-functionalized fibrinogen paper-based biosensor for on-spot and rapid detection of Staphylococcus aureus.  FOOD CHEMISTRY,      [PMID:38959795] [10.1016/j.foodchem.2024.140291]

4. Chongze Yue, Miaoshi Wang, Zhilong Zhou, Yunze You, Guiying Wang, Dongran Wu.  (2024)  Cellulose-based intelligent packaging films with antibacterial, UV-blocking, and biodegradable properties for shrimp freshness monitoring.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.150975]

5. Huan Xing, Yuxin Song, Liang Ma, Fengxia Wang, Mingfang Zhang, Zhonghao Li, Zherui Wan, Xiaoxu Cui, Guang Yang.  (2024)  Preparation of Bis-Polydiacetylene with Reversible Thermochromism and High Sensitivity toward Pb2+ Detection.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c02266]

6. Yunpeng Zhang, Peng Gao, Rui Guan, Haoran Zheng, Chuanren He, Longxiang Tao, Bingjie Zhao, Jun Yin.  (2025)  Reversible Shape-Color Synchronous Dual-Response Flexible Poly(vinyl chloride)-Based Composite Film via Star-Shaped Diacetylene-Modified Poly(ε-caprolactone).  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c03880]

7. Chunyu Song, Xuan Zhang, Chenglong Qiu, Yong Yang.  (2025)  Symmetric Bis-polyacetylene Linked with Aromatic Amides Targeting Medium-high Temperature Thermal Monitor.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS,      [PMID:40970390] [10.1039/D5CP02223A]

8. Chenxi Zhang, Chenlu He.  (2025)  Reversible thermochromism in violet-phase polydiacetylene derivatives triggered by ultraviolet photopolymerization.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS,      [PMID:40985120] [10.1039/D5CP02612A]

9. Chunyu Song, Jiahao Huang, Chenglong Qiu, Yong Yang.  (2025)  Reversible thermochromic modulation for polydiacetylene derivatives with amide and aromatic groups targeting thermal monitor.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2025.106357]

10. Nianyue Zhang, Shuilong Kang, Meng Zhang, Sifan You, Xiang Hu, Guangyuan Feng, Kunal S. Mali, Steven De Feyter, Oleksandr Ivasenko, Lifeng Chi, Yuan Fang.  (2025)  Toward Unified Mechanism of Bias-Dependent Switching in Reactive Self-Assembly Systems.  ACS Nano,      [PMID:40607774] [10.1021/acsnano.5c03607]