Ethylene glycol monophenyl ether - ≥99% , CAS No.122-99-6

CAS: 122-99-6 Cat. No.: E109370 Formula: C₈H₁₀O₂ Molecular Weight: 138.16 Beilstein Registry Number: 1364011 EC Number: 204-589-7

GRADE & PURITY ≥99%

Synonyms

Ethylene glycol phenyl ether | Phenyl cellosolve | Phenylmonoglycol ether | Phenoxyethyl alcohol | Phenoxyethanol | Phenoxytol | 1-Hydroxy-2-phenoxyethane | 2-PHENOXYETHANOL | Rose ether | 2-Phenoxyethan-1-Ol | Phenoxethol | Phenyl Glycol

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2-Phenoxyethanol may be used as a starting material to synthesize diorganodiselenides derivatives. It can undergo aromatic alkylation with fluoren-9-one to form 9,9-bis[4-(2-hydroxyethoxy)phenyl]fluorene in the presence of Ti4+ cation-exchanged montmorillonite catalyst.

2-Phenoxyethanol is generally used as a preservative in cosmetics, pharmaceuticals and also to preserve liquid protein concentrates. It is also used as a fish anesthetic agent.

Specifications

Synonyms

Ethylene glycol phenyl ether | Phenyl cellosolve | Phenylmonoglycol ether | Phenoxyethyl alcohol | Phenoxyethanol | Phenoxytol | 1-Hydroxy-2-phenoxyethane | 2-PHENOXYETHANOL | Rose ether | 2-Phenoxyethan-1-Ol | Phenoxethol | Phenyl Glycol

Specifications & Purity

≥99%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

508811783

Canonical Smiles

C1=CC=C(C=C1)OCCO

IUPAC Name

2-phenoxyethanol

InChIKey

QCDWFXQBSFUVSP-UHFFFAOYSA-N

INCHI

1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2

Isomeric SMILES

C1=CC=C(C=C1)OCCO

WGK Germany

1

RTECS

KM0350000

Molecular Weight

138.16

Beilstein

1364011

Reaxy-Rn

1364011

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364011&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 Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - 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: aromatic ether - primary alcohol - hydroxyether

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(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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Lymphoblastoid cell (5959 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with water, ethanol, propanol and propylene glycol.
• Refractive Index: 1.536-1.54
• Flash Point(°F): 266 ℉
• Flash Point(°C): 130°C
• Boil Point(°C): 237°C
• Melt Point(°C): 11-13°C
• Molecular Weight: 138.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• 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: 77.300
• 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