4-(Ethoxymethyl)phenol - ≥97% , CAS No.57726-26-8

CAS: 57726-26-8 Cat. No.: E194029 분자식: C₉H₁₂O₂ 분자량: 152.19 EC 번호: 260-918-4

GRADE & PURITY ≥97%

Synonyms

4-(ethoxymethyl)phenol|57726-26-8|4-Ethoxymethylphenol|alpha-Ethoxy-p-cresol|4-Hydroxybenzyl ethyl ether|p-Hydroxybenzyl ethyl ether|Phenol, 4-(ethoxymethyl)-|EINECS 260-918-4|4-(Ethoxymethyl)-Phenol|SCHEMBL62426|CHEMBL3911844|DTXSID20206426|CHEBI:179248|

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

4-(ethoxymethyl)phenol | 57726-26-8 | 4-Ethoxymethylphenol | alpha-Ethoxy-p-cresol | 4-Hydroxybenzyl ethyl ether | p-Hydroxybenzyl ethyl ether | Phenol, 4-(ethoxymethyl)- | EINECS 260-918-4 | 4-(Ethoxymethyl)-Phenol | SCHEMBL62426 | CHEMBL3911844 | DTXSID20206426 | CHEBI:179248 |

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥97%

이름과 식별자

• Pubchem Sid: 528759773
• 정식 스마일: CCOCC1=CC=C(C=C1)O
• IUPAC Name: 4-(ethoxymethyl)phenol
• InChIKey: UWQZVUQKBWZNLN-UHFFFAOYSA-N
• INCHI: 1S/C9H12O2/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,10H,2,7H2,1H3
• 이성체 SMILES: CCOCC1=CC=C(C=C1)O
• 분자량: 152.19
• Reaxy-Rn: 2207066
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207066&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 152.190 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 95.700
• 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