2-Ethoxyphenol - ≥99%(GC) , CAS No.94-71-3

CAS: 94-71-3 Cat. No.: E156224 Molecular Weight: 138.17 Beilstein Registry Number: 1100450 EC Number: 202-358-5

GRADE & PURITY ≥99%(GC)

Synonyms

D72674 | 2-Ethyloxyphenol | NSC1809 | NSC-1809 | Phenol, o-ethoxy- | 1-hydroxy-2-ethoxybenzene | 878IW8P9PW | Catechol monoethyl ether | GS-3119 | 2-ethoxylphenol | DTXSID2042276 | Phenol, 2-ethoxy- | o-ethoxy phenol | InChI=1/C8H10O2/c1-2-10-8-6-4-3-5-7(

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

2-Ethoxyphenol is a smoke flavour compound and forms complexes with iron (III).
2-Ethoxyphenol has been used as carbon and energy supplement in the growth medium of red-pigmented coryneform bacterium, Rhodococcusrhodochrous strain 116.

Specifications

Synonyms

D72674 | 2-Ethyloxyphenol | NSC1809 | NSC-1809 | Phenol, o-ethoxy- | 1-hydroxy-2-ethoxybenzene | 878IW8P9PW | Catechol monoethyl ether | GS-3119 | 2-ethoxylphenol | DTXSID2042276 | Phenol, 2-ethoxy- | o-ethoxy phenol | InChI=1/C8H10O2/c1-2-10-8-6-4-3-5-7(

Specifications & Purity

≥99%(GC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 508808026
• Canonical Smiles: CCOC1=CC=CC=C1O
• IUPAC Name: 2-ethoxyphenol
• InChIKey: MOEFFSWKSMRFRQ-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3
• Isomeric SMILES: CCOC1=CC=CC=C1O
• WGK Germany: 3
• Molecular Weight: 138.17
• Beilstein: 1100450
• Reaxy-Rn: 1100453
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100453&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Associated Targets(non-human)

Trichoplusia ni (986 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive；heat sensitive
• Flash Point(°F): 195.8 °F
• Flash Point(°C): 91 °C
• Boil Point(°C): 216°C
• Melt Point(°C): 20-25 °C (lit.)
• Molecular Weight: 138.160 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.300
• 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