Benzyl Acrylate (stabilized with MEHQ) - ≥97%(GC) , CAS No.2495-35-4

CAS: 2495-35-4 Cat. No.: B151902 Molecular Weight: 162.19 EC Number: 219-673-9

GRADE & PURITY ≥97%(GC)

Synonyms

J-015747 | SR 432 | FT-0622766 | Melcril 4085 | Benzyl Acrylate (stabilized with MEHQ) | B4627 | EINECS 219-673-9 | Benzyl acrylate stab. with ca 150ppm 4-methoxyphenol | Acrylicacidbenzylester | 2-Propenoic acid, phenylmethyl ester | acrylic acid benzyl

Storage

Room temperature

Shipped In

Normal

Overview

Benzyl acrylate is a high refractive index monomer. It can be used to prepare high refractive index polymers, and formulate inks.

Specifications

Synonyms

J-015747 | SR 432 | FT-0622766 | Melcril 4085 | Benzyl Acrylate (stabilized with MEHQ) | B4627 | EINECS 219-673-9 | Benzyl acrylate stab. with ca 150ppm 4-methoxyphenol | Acrylicacidbenzylester | 2-Propenoic acid, phenylmethyl ester | acrylic acid benzyl

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Canonical Smiles: C=CC(=O)OCC1=CC=CC=C1
• IUPAC Name: benzyl prop-2-enoate
• InChIKey: GCTPMLUUWLLESL-UHFFFAOYSA-N
• INCHI: 1S/C10H10O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8H2
• Isomeric SMILES: C=CC(=O)OCC1=CC=CC=C1
• Molecular Weight: 162.19
• Reaxy-Rn: 2043347
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043347&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Acrylic acid esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Acrylic acid ester - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

Chemical and Physical Properties

• Solubility: Soluble in organic solvents, and water.
• Refractive Index: 1.5180
• Flash Point(°C): 108 °C
• Boil Point(°C): 111°C/8mm
• Molecular Weight: 162.180 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 157.000
• 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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