Mono(2-acryloyloxyethyl) Succinate (stabilized with MEHQ) - ≥90% , CAS No.50940-49-3

CAS: 50940-49-3 Cat. No.: M158642 Molecular Weight: 216.19 EC Number: 610-591-2

GRADE & PURITY ≥90%

Synonyms

LS-13649 | NCGC00256019-01 | CAS-50940-49-3 | 4-(2-(Acryloyloxy)ethoxy)-4-oxobutanoicacid | NK ESTER A-SA | OEA 1-20 | acryloyloxyethyl succinate | SCHEMBL33640 | 4-OXO-4-[2-(PROP-2-ENOYLOXY)ETHOXY]BUTANOIC ACID | ARONIX M 5500 | HEA SUCCINATE [INCI] | Mo

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

LS-13649 | NCGC00256019-01 | CAS-50940-49-3 | 4-(2-(Acryloyloxy)ethoxy)-4-oxobutanoicacid | NK ESTER A-SA | OEA 1-20 | acryloyloxyethyl succinate | SCHEMBL33640 | 4-OXO-4-[2-(PROP-2-ENOYLOXY)ETHOXY]BUTANOIC ACID | ARONIX M 5500 | HEA SUCCINATE [INCI] | Mo

Specifications & Purity

≥90%

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

≥90%

Names and Identifiers

• Canonical Smiles: C=CC(=O)OCCOC(=O)CCC(=O)O
• IUPAC Name: 4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid
• InChIKey: UZDMJPAQQFSMMV-UHFFFAOYSA-N
• INCHI: 1S/C9H12O6/c1-2-8(12)14-5-6-15-9(13)4-3-7(10)11/h2H,1,3-6H2,(H,10,11)
• Isomeric SMILES: C=CC(=O)OCCOC(=O)CCC(=O)O
• Molecular Weight: 216.19
• Reaxy-Rn: 10541804
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10541804&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Fatty acid esters Acrylic acid esters Enoate esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Fatty acid ester - Acrylic acid ester - Fatty acyl - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• 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: Very soluble in Alcohol,Toluene,Benzene
• Sensitivity: Moisture sensitive；Heat sensitive
• Refractive Index: 1.46
• Flash Point(°F): 352.40℉
• Flash Point(°C): 178 °C
• Molecular Weight: 216.190 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 216.063 Da
• Monoisotopic Mass: 216.063 Da
• Topological Polar Surface Area: 89.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 257.000
• 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