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

CAS: 620-17-7 Cat. No.: E156226 Formula: C₈H₁₀O Peso molecolare: 122.17 Beilstein Registry Number: 1857000 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

508808808

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808808

Sorrisi canonici

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

Isomeri SMILES

CCC1=CC(=CC=C1)O

WGK Germania

3

Numero UN

3145

Gruppo di imballaggio

III

Peso molecolare

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
    • Classe Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water; Very soluble in Alcohol,Ether; Slightly soluble in Chloroform
• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.53
• Punto di infiammabilità (°F): 201.2 °F
• Punto di infiammabilità (°C): 115°C(lit.)
• Punto di ebollizione (°C): 218°C(lit.)
• Punto di fusione (°C): -4°C(lit.)
• Peso molecolare: 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