GRADE & PURITY ≥90%

Synonyms

MFCD00066298 | mono-2-(Methacryloyloxy)ethyl phthalate | 2-(METHACRYLOYLOXY)ETHYL PHTHALATE MONO | DTXSID80885397 | Mono(2-methacryloyloxy)ethyl phthalate | 2-[[2-(Methacryloyloxy)ethoxy]carbonyl]benzoic acid, tech grade | 2-({2-[(2-METHYLPROP-2-ENOYL)OXY

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

MFCD00066298 | mono-2-(Methacryloyloxy)ethyl phthalate | 2-(METHACRYLOYLOXY)ETHYL PHTHALATE MONO | DTXSID80885397 | Mono(2-methacryloyloxy)ethyl phthalate | 2-[[2-(Methacryloyloxy)ethoxy]carbonyl]benzoic acid, tech grade | 2-({2-[(2-METHYLPROP-2-ENOYL)OXY

Specifications & Purity

≥90%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 504762673
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762673
• Canonical Smiles: CC(=C)C(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O
• IUPAC Name: 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
• InChIKey: FIQBJLHOPOSODG-UHFFFAOYSA-N
• INCHI: 1S/C14H14O6/c1-9(2)13(17)19-7-8-20-14(18)11-6-4-3-5-10(11)12(15)16/h3-6H,1,7-8H2,2H3,(H,15,16)
• Isomeric SMILES: CC(=C)C(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O
• Molecular Weight: 278.26
• Reaxy-Rn: 11599766
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11599766&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoic acids Benzoyl derivatives Enoate esters Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoic acid - Benzoyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - 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 benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

• Refractive Index: 1.52
• Flash Point(°C): 172 °C
• Molecular Weight: 278.260 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 278.079 Da
• Monoisotopic Mass: 278.079 Da
• Topological Polar Surface Area: 89.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 400.000
• 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