4′-Ethyl-biphenyl-4-ol - ≥98% , CAS No.21345-28-8

CAS: 21345-28-8 Cat. No.: E332433 분자식: C₁₄H₁₄O 분자량: 198.26

GRADE & PURITY ≥98%

Synonyms

4'-ethyl-[1,1'-biphenyl]-4-ol | 4'-Ethyl[1,1'-biphenyl]-4-ol | 4-hydroxy-4'-ethylbiphenyl | AC-6621 | MFCD06658180 | SB66630 | DTXSID50563317 | SCHEMBL980894 | 4'-Ethyl-biphenyl-4-ol | 4'-ethylbiphenyl-4-ol | A4604 | J-014004 | FT-0630103 | 4-(4-ethylphen

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

4'-ethyl-[1,1'-biphenyl]-4-ol | 4'-Ethyl[1,1'-biphenyl]-4-ol | 4-hydroxy-4'-ethylbiphenyl | AC-6621 | MFCD06658180 | SB66630 | DTXSID50563317 | SCHEMBL980894 | 4'-Ethyl-biphenyl-4-ol | 4'-ethylbiphenyl-4-ol | A4604 | J-014004 | FT-0630103 | 4-(4-ethylphen

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488198724

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198724

정식 스마일

CCC1=CC=C(C=C1)C2=CC=C(C=C2)O

IUPAC Name

4-(4-ethylphenyl)phenol

InChIKey

MVHOIHXEJQPTQT-UHFFFAOYSA-N

INCHI

1S/C14H14O/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10,15H,2H2,1H3

이성체 SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)O

분자량

198.26

Reaxy-Rn

2087257

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2087257&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - 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 biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

화학 및 물리적 특성

• 용해성: Soluble in water (slightly).
• 굴절률: n20D1.58 (Predicted)
• 끓는점(°C): ~329.9° C at 760 mmHg (Predicted)
• 분자량: 198.260 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.104 Da
• Monoisotopic Mass: 198.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 174.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 21345-28-8, the molecular formula is C14H14O, and the molecular weight is 198.26 g/mol. InChIKey MVHOIHXEJQPTQT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.