Ethylene glycol phenyl ether acrylate - ≥80% , CAS No.48145-04-6

CAS: 48145-04-6 Cat. No.: E298587 Molecular Weight: 192.21 EC Number: 256-360-6

GRADE & PURITY ≥80%

Synonyms

2-Phenoxyethyl acrylate|48145-04-6|Ethylene glycol phenyl ether acrylate|Phenoxyethyl acrylate|2-phenoxyethyl prop-2-enoate|Light ester PO-A|Chemlink 160|Ebecryl 110|2-Propenoic acid, 2-phenoxyethyl ester|2-Phenoxyethanol acrylate|Phenyl cellosolve acryla

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Phenoxyethyl acrylate | 48145-04-6 | Ethylene glycol phenyl ether acrylate | Phenoxyethyl acrylate | 2-phenoxyethyl prop-2-enoate | Light ester PO-A | Chemlink 160 | Ebecryl 110 | 2-Propenoic acid, 2-phenoxyethyl ester | 2-Phenoxyethanol acrylate | Phenyl cellosolve acryla

Specifications & Purity

≥80%

Storage

Room temperature

Shipped In

Normal

Purity

≥80%

Names and Identifiers

• Canonical Smiles: C=CC(=O)OCCOC1=CC=CC=C1
• IUPAC Name: 2-phenoxyethyl prop-2-enoate
• InChIKey: RZVINYQDSSQUKO-UHFFFAOYSA-N
• INCHI: 1S/C11H12O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h2-7H,1,8-9H2
• Isomeric SMILES: C=CC(=O)OCCOC1=CC=CC=C1
• Molecular Weight: 192.21
• Reaxy-Rn: 2102773
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2102773&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 Acrylic acid esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Acrylic acid ester - Monocyclic benzene moiety - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - 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(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

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

Discover Target: THRB

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive
• Refractive Index: 1.518
• Flash Point(°C): 113°C
• Boil Point(°C): 84°C
• Molecular Weight: 192.210 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 192.079 Da
• Monoisotopic Mass: 192.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 183.000
• 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

References

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