4,4'-Ethylidenebisphenol - ≥98% , CAS No.2081-08-5

CAS: 2081-08-5 Cat. No.: E156401 분자식: C₁₄H₁₄O₂ 분자량: 214.26 Beilstein Registry Number: 6(4)6678 EC 번호: 627-637-2

GRADE & PURITY ≥98%

Synonyms

NCGC00248698-01 | 4,4'-(ETHANE-1,1-DIYL)DIPHENOL | Bisphenol E, analytical standard | HCNHNBLSNVSJTJ-UHFFFAOYSA- | 1,1-Bis(4-hydroxyphenyl)ethane | NCGC00357018-01 | DTXSID3047891 | E0432 | 4-[1-(4-hydroxyphenyl)ethyl]phenol | Bisphenol E | DTXCID9027867

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

application：

Bisphenol E may be used as a reference standard in the determination of bisphenol E in beverages using on-line solid-phase extraction with fast liquid chromatography coupled with tandem mass spectrometry (on-line SPE fast LC-MS/MS). 

Specifications

동의어

NCGC00248698-01 | 4,4'-(ETHANE-1,1-DIYL)DIPHENOL | Bisphenol E, analytical standard | HCNHNBLSNVSJTJ-UHFFFAOYSA- | 1,1-Bis(4-hydroxyphenyl)ethane | NCGC00357018-01 | DTXSID3047891 | E0432 | 4-[1-(4-hydroxyphenyl)ethyl]phenol | Bisphenol E | DTXCID9027867

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504759518
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759518
• 정식 스마일: CC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
• IUPAC Name: 4-[1-(4-hydroxyphenyl)ethyl]phenol
• InChIKey: HCNHNBLSNVSJTJ-UHFFFAOYSA-N
• INCHI: 1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3
• 이성체 SMILES: CC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
• 분자량: 214.26
• Beilstein: 6(4)6678
• Reaxy-Rn: 1876454
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876454&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: 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: diarylmethane

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

관련 대상(인간)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• 녹는점(°C): 125 °C
• 분자량: 214.260 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.099 Da
• Monoisotopic Mass: 214.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 179.000
• 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