Benzo-15-crown-5 - ≥98% , CAS No.14098-44-3

CAS: 14098-44-3 Cat. No.: B111880 Molecular Weight: 268.31 Beilstein Registry Number: 1624106 EC Number: 237-947-6

GRADE & PURITY ≥98%

Synonyms

FT-0622697 | NSC129523 | Benzo-15-crown-5(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin) | Monobenzo-15-crown-5 | Benzo-15-crown-5, 98% | NSC 175877 | STK802303 | NSC175877 | NSC-175877 | A807713 | BBL011086 | BRN 1624106 | 2,3,5,6,

Storage

Argon charged,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0622697 | NSC129523 | Benzo-15-crown-5(2, 3, 5, 6, 8, 9, 11, 12-Octahydro-1, 4, 7, 10, 13-benzopentaoxacyclopentadecin) | Monobenzo-15-crown-5 | Benzo-15-crown-5, 98% | NSC 175877 | STK802303 | NSC175877 | NSC-175877 | A807713 | BBL011086 | BRN 1624106 | 2, 3, 5, 6,

Specifications & Purity

≥98%

Storage

Argon charged, Desiccated, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186226
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186226
• Canonical Smiles: C1COCCOC2=CC=CC=C2OCCOCCO1
• IUPAC Name: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
• InChIKey: FNEPSTUXZLEUCK-UHFFFAOYSA-N
• INCHI: 1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h1-4H,5-12H2
• Isomeric SMILES: C1COCCOC2=CC=CC=C2OCCOCCO1
• WGK Germany: 3
• RTECS: DI5400000
• Molecular Weight: 268.31
• Beilstein: 1624106
• Reaxy-Rn: 1624106
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1624106&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Benzenoids Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• External Descriptors: crown ether

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(non-human)

Gallus gallus (1187 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in hot methanol. Slightly soluble in water.
• Sensitivity: Hygroscopic；Moisture sensitive
• Melt Point(°C): 79-82°C
• Molecular Weight: 268.300 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 268.131 Da
• Monoisotopic Mass: 268.131 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 19
• 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

References

1. Xiaolong Zhou, Pengrui Zhang, Qingfen Meng, Lianjing Mao, Huiqun Ju, Fei Shao, Yan Jing, Yongzhong Jia, Shuxuan Wang, Xingwu Zou, Jinhe Sun.  (2022)  The extraction method for the separation of lithium isotopes using B12C4/B15C5/B18C6-ionic liquid systems.  NEW JOURNAL OF CHEMISTRY,  47  (4): (1916-1924).  [PMID:] [10.1039/D2NJ05369A]

2. Peihua Zhu, Feifei Song, Pan Ma, Shanshan Li, Yucheng Wang.  (2018)  Effective photocurrent generation in supramolecular porphyrin-fullerene conjugates assembled by crown ether-alkyl ammonium cation interactions.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2018.01.012]

3. Shao Honghong, Li Chunyan, Ma Changchang, Sun Lin, Chen Rongru, Cheng Rujia, Liu Yang, Yan Yongsheng, Sun Qingfeng, Wu Chunxia.  (2017)  An ion-imprinted material embedded carbon quantum dots for selective fluorometric determination of lithium ion in water samples.  MICROCHIMICA ACTA,  184  (12): (4861-4868).  [PMID:] [10.1007/s00604-017-2493-8]

4. Xiaopei Li, Anqi He, Kun Huang, Huizhou Liu, Ying Zhao, Yongju Wei, Yizhuang Xu, Isao Noda, Jinguang Wu.  (2015)  Two-dimensional asynchronous spectrum with auxiliary cross peaks in probing intermolecular interactions.  RSC Advances,  5  (107): (87739-87749).  [PMID:] [10.1039/C5RA16062F]

5. Li Cui, Ren Gao, Qiaowei Zhang, Kun Jiang, Hongyan He, Wei-Lu Ding, Fangqin Cheng.  (2024)  Benzo-15-Crown-5 Functionalized Ionic Liquids with Enhanced Stability for Effective Separation of Lithium Isotopes: The Effect of Alkyl Chain Length.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c05171]

6. Zhiyu Zhao, Xiaolong Zhou, Qingfen Meng, Pengrui Zhang, Fei Shao, Xiao Li, Huangda Li, Lianjing Mao, Tianyu Zheng, Yan Jing, Yongzhong Jia, Shuxuan Wang, Jinhe Sun.  (2024)  Electromigration separation of lithium isotopes with B12C4, B15C5 and B18C6 systems.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D3NJ05963D]

7. Zhenrong Zhou, Shuang Han, Ning Gan, Qianxi Zhang, Haonan Xue, Minghong Li, Hongmiao Wu, Qilin Gu, Qiuyue Wang, Ze-Xian Low, Zhaoxiang Zhong, Weihong Xing, Rong Wang.  (2025)  Thin-Film Composite Membranes Featuring Open-Chain Crown Ether Aromatic Diacyl Chloride for Monovalent/Divalent Ion Separation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124165]