4-Allyloxy-2-hydroxybenzophenone - ≥99% , CAS No.2549-87-3

CAS: 2549-87-3 Cat. No.: A107651 Molecular Weight: 254.28 EC Number: 607-738-8

GRADE & PURITY ≥99%

Synonyms

AKOS000121340 | MFCD00191713 | 2-hydroxy-4-allyloxybenzophenone | 4-Allyloxy-2-hydroxybenzophenone, 99% | [2-hydroxy-4-(prop-2-en-1-yloxy)phenyl](phenyl)methanone | 2-benzoyl-5-(prop-2-en-1-yloxy)phenol | Z104510766 | AC1091 | AS-67317 | (s)-n-benzyl-3,4-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS000121340 | MFCD00191713 | 2-hydroxy-4-allyloxybenzophenone | 4-Allyloxy-2-hydroxybenzophenone, 99% | [2-hydroxy-4-(prop-2-en-1-yloxy)phenyl](phenyl)methanone | 2-benzoyl-5-(prop-2-en-1-yloxy)phenol | Z104510766 | AC1091 | AS-67317 | (s)-n-benzyl-3, 4-

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488185154
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185154
• Canonical Smiles: C=CCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
• IUPAC Name: (2-hydroxy-4-prop-2-enoxyphenyl)-phenylmethanone
• InChIKey: GVZIBGFELWPEOC-UHFFFAOYSA-N
• INCHI: 1S/C16H14O3/c1-2-10-19-13-8-9-14(15(17)11-13)16(18)12-6-4-3-5-7-12/h2-9,11,17H,1,10H2
• Isomeric SMILES: C=CCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
• WGK Germany: 3
• Molecular Weight: 254.28
• Reaxy-Rn: 1978875
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1978875&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Aryl ketone - Phenol ether - Benzoyl - Phenoxy compound - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Chemical and Physical Properties

• Solubility: Soluble in Toluene
• Boil Point(°C): 178°C/1mmHg
• Melt Point(°C): 67-70°C
• Molecular Weight: 254.280 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 254.094 Da
• Monoisotopic Mass: 254.094 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 307.000
• 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. Li Mingyue, Chen Yidong, Xu Qingwen, Chen Yilin, Ren Xiancheng, Zhou Kai.  (2022)  Thermal aged XLPE cables restoration by injecting hydrolyzable voltage stabilizer.  JOURNAL OF POLYMER RESEARCH,  29  (11): (1-11).  [PMID:] [10.1007/s10965-022-03290-1]

2. Liang Yue, Weng Ling, Zhang Wenlong.  (2021)  Preparation and Electrical Properties of 4-allyloxy-2-hydroxybenzophenone Grafted Polypropylene for HVDC Cables.  JOURNAL OF ELECTRONIC MATERIALS,  50  (11): (6228-6236).  [PMID:] [10.1007/s11664-021-09147-5]

3. Chen Junyu, Mao Liucheng, Qi Hongxu, Xu Dazhuang, Huang Hongye, Liu Meiying, Wen Yuanqing, Deng Fengjie, Zhang Xiaoyong, Wei Yen.  (2019)  Preparation of fluorescent cellulose nanocrystal polymer composites with thermo-responsiveness through light-induced ATRP.  CELLULOSE,  27  (2): (743-753).  [PMID:] [10.1007/s10570-019-02845-8]

4. Saijiao Yang, Meiying Liu, Liucheng Mao, Dazhuang Xu, Hongye Huang, Junyu Chen, Yuanqing Wen, Fengjie Deng, Xiaoyong Zhang, Yen Wei.  (2019)  Facile fabrication and biological imaging applications of salicylaldehyde based fluorescent organic nanoparticles with aggregation-induced emission and ESIPT feature.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2019.111331]

5. Fangfang Chen, Jiaming Wang, Wei Xu, Zhuangzhuang Ren, Guan Peng, Tao Huang, Fei Zhao.  (2024)  Self-assembly aggregation-induced emission from Eu (III) complexes with o-hydroxy-benzophenone ligands.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2024.177421]

6. Chunyang Li, Duo Ji, Yuxin Wan, Xu Yang, Manzhi Shao, Hong Zhao, Jiansheng Sun.  (2024)  Grafting of voltage stabilizer onto EPDM surface and its inhibition effect on the breakdown of EPDM/XLPE interface.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2024.110761]

7. Lili Li, Yuzhe Li, Yulong Wang, Shuang Han, Jiangxu Li, Junguo Gao.  (2025)  Study on the mechanism of hydrogen bond to construct PP/ETFE Co-crystalline supramolecules and its space charge characteristics.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.129168]

8. Duo Ji, Chunyang Li, Zhen Li, Xu Yang, Xiansheng Chen, Hong Zhao.  (2026)  Impacts of Silicone Grease Swelling on Surface and Interface Insulation Performance and Trap Characteristics of Grafted EPDM.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2026.112006]