Bisphenol A bisallyl ether - ≥98% , CAS No.3739-67-1

CAS: 3739-67-1 Cat. No.: B303589 Peso molecular: 308.41 Número EC: 223-123-3

GRADE & PURITY ≥98%

Synonyms

4,4'-(Propane-2,2-diyl)bis((allyloxy)benzene) | 1-prop-2-enoxy-4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]benzene | 2,2-Bis(4-allyloxyphenyl)propane | 4,4'-Isopropylidenebis[(allyloxy)benzene] | Bisphenol A bisallyl ether | Bisphenol A diallyl ether

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4, 4'-(Propane-2, 2-diyl)bis((allyloxy)benzene) | 1-prop-2-enoxy-4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]benzene | 2, 2-Bis(4-allyloxyphenyl)propane | 4, 4'-Isopropylidenebis[(allyloxy)benzene] | Bisphenol A bisallyl ether | Bisphenol A diallyl ether

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755167
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755167
• Sonrisas canónicas: CC(C)(C1=CC=C(C=C1)OCC=C)C2=CC=C(C=C2)OCC=C
• IUPAC Name: 1-prop-2-enoxy-4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]benzene
• InChIKey: SCZZNWQQCGSWSZ-UHFFFAOYSA-N
• INCHI: 1S/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3
• Isómeros SMILES: CC(C)(C1=CC=C(C=C1)OCC=C)C2=CC=C(C=C2)OCC=C
• Peso molecular: 308.41
• Reaxy-Rn: 2285801
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2285801&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpropanes Phenoxy compounds Phenol ethers Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by 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

Propiedades químicas y físicas

• Peso molecular: 308.400 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 308.178 Da
• Monoisotopic Mass: 308.178 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 324.000
• 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. Jiaqi Hu, Mingyue Wang, Min Wang, Dandan Wang, Yuqiang Xiao, Yue Lan, Lingling Li, Meiling Yang, Minmin Wang, Leijiao Peng, Famin Ke, Xiurong Guo, Die Gao.  (2025)  One stone, several birds: A carboxyl-carbazole-rich fluorescent covalent organic framework for the detection of tetrabromobisphenol S, Fe³ ⁺, ascorbic acid, D/L-arginine, and the removal of tetrabromobisphenol S.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41177028] [10.1016/j.jhazmat.2025.140328]

2. Guanyu Lu, Guohuan Zhang, Yiqiu Wei, Peiqi Luo.  (2026)  Silver Ion Assisted Paper Spray Ionization Mass Spectrometry for Bisphenols and Derivatives Analysis.  JOURNAL OF MASS SPECTROMETRY,  61  (2): (e70032).  [PMID:41562292] [10.1002/jms.70032]