3-Ethylphenol - ≥95%(GC) , CAS No.620-17-7

CAS: 620-17-7 Cat. No.: E156226 분자식: C₈H₁₀O 분자량: 122.17 Beilstein Registry Number: 1857000 EC 번호: 210-627-3

GRADE & PURITY ≥95%(GC)

Synonyms

DTXSID0022480 | 3-ETHYL PHENOL | 3-Ethylphenol 100 microg/mL in Methanol | ETHYLPHENOL, 3- | STL481945 | 3-Ethylphenol, >=95.0% (GC) | HSDB 5720 | m-Ethylphenol | NSC8873 | NSC-8873 | NCGC00249086-01 | EN300-20883 | CAS-620-17-7 | NSC 8873 | 3-ETHYLPHENOL

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

It is used as a photographic chemical intermediate and an intermediate for the cyan coupler of photographic paper. It has a wide application in fragrance industry

Specifications

동의어

DTXSID0022480 | 3-ETHYL PHENOL | 3-Ethylphenol 100 microg/mL in Methanol | ETHYLPHENOL, 3- | STL481945 | 3-Ethylphenol, >=95.0% (GC) | HSDB 5720 | m-Ethylphenol | NSC8873 | NSC-8873 | NCGC00249086-01 | EN300-20883 | CAS-620-17-7 | NSC 8873 | 3-ETHYLPHENOL

사양 및 순도

≥95%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥95%(GC)

이름과 식별자

• Pubchem Sid: 508808808
• 정식 스마일: CCC1=CC(=CC=C1)O
• IUPAC Name: 3-ethylphenol
• InChIKey: HMNKTRSOROOSPP-UHFFFAOYSA-N
• INCHI: 1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
• 이성체 SMILES: CCC1=CC(=CC=C1)O
• WGK 독일: 3
• UN 번호: 3145
• 포장 그룹: III
• 분자량: 122.17
• Beilstein: 1857000
• Reaxy-Rn: 1857002
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1857002&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
• External Descriptors: phenols

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)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water; Very soluble in Alcohol,Ether; Slightly soluble in Chloroform
• 감도: Air Sensitive
• 굴절률: 1.53
• 발화점(°F): 201.2 °F
• 발화점(°C): 115°C(lit.)
• 끓는점(°C): 218°C(lit.)
• 녹는점(°C): -4°C(lit.)
• 분자량: 122.160 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.073 Da
• Monoisotopic Mass: 122.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.600
• 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

참고 문헌

1. Xing Shen, Yang Chen, Xiuxiu Liu, Xuejiao Qie, Zhongping Chai, Maomao Zeng.  (2024)  Effects and mechanisms of using “clean” smoke particles in the smoking process on the formation of β-carboline heterocyclic amines (β-CHAs) in smoked meat patties.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38870859] [10.1016/j.jhazmat.2024.134843]

2. Yang Ruilin, Wang Ping, Guan Xinhui, Gu Xiaofei, Qiao Xiaoqiang.  (2025)  Exploiting metal-free atom transfer radical polymerization for fabrication of styrene-maleic acid polymer-brush grafting chromatographic stationary phase and its separation performances for phospholipids.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,      [PMID:40781368] [10.1007/s00216-025-06053-1]