Bisphenol G - ≥98% , CAS No.127-54-8

CAS: 127-54-8 Cat. No.: B491250 分子式: C₂₁H₂₈O₂ 分子量: 312.45 EC番号: 678-196-8

GRADE & PURITY ≥98%

Synonyms

127-54-8|2,2-Bis(4-hydroxy-3-isopropylphenyl)propane|Bisphenol G|4,4'-(Propane-2,2-diyl)bis(2-isopropylphenol)|4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol|KUC105975N|KSC-7-289|2,2-Bis(4-hydroxy-3-isopropylphenyl)propan|NSC21526|4,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Product Application：

Bisphenol G is used as an analyte in analytical studies of rapid multiresidue determination of bisphenol analogs in soil with online derivatization. Bisphenol G is a derivative of Bisphenol A

Specifications

同義語

127-54-8 | 2,2-Bis(4-hydroxy-3-isopropylphenyl)propane | Bisphenol G | 4,4'-(Propane-2,2-diyl)bis(2-isopropylphenol) | 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol | KUC105975N | KSC-7-289 | 2,2-Bis(4-hydroxy-3-isopropylphenyl)propan | NSC21526 | 4,

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 504757970
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504757970
• カノニカル・スマイル: CC(C)C1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C(C)C)O
• IUPAC Name: 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol
• InChIKey: IJWIRZQYWANBMP-UHFFFAOYSA-N
• INCHI: 1S/C21H28O2/c1-13(2)17-11-15(7-9-19(17)22)21(5,6)16-8-10-20(23)18(12-16)14(3)4/h7-14,22-23H,1-6H3
• 異性体SMILES: CC(C)C1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C(C)C)O
• 分子量: 312.45
• Reaxy-Rn: 2383602
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2383602&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphenols
• Alternative Parents: Phenylpropanes Cumenes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bisphenol - Phenylpropane - Cumene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as bisphenols. These are methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone).
• 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO (Slightly), Methanol (Slightly)
• 融点（°C）: 91-93°C
• 分子量: 312.400 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 312.209 Da
• Monoisotopic Mass: 312.209 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 340.000
• 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