Ditrimethylolpropane Tetraacrylate (stabilized with MEHQ) - ≥90% , CAS No.94108-97-1

CAS: 94108-97-1 Cat. No.: D404313 Molecular Weight: 466.53 EC Number: 302-434-9

GRADE & PURITY ≥90%

Synonyms

2-Propenoic acid, 1,1'-(2-((2,2-bis(((1-oxo-2-propen-1-yl)oxy)methyl)butoxy)methyl)-2-ethyl-1,3-propanediyl) ester | EINECS 302-434-9 | XRMBQHTWUBGQDN-UHFFFAOYSA-N | BEAMSET 730 | bistrimethylolpropane tetraacrylate | Acrylic Acid [Oxybis(methylene)]bis(2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Propenoic acid, 1, 1'-(2-((2, 2-bis(((1-oxo-2-propen-1-yl)oxy)methyl)butoxy)methyl)-2-ethyl-1, 3-propanediyl) ester | EINECS 302-434-9 | XRMBQHTWUBGQDN-UHFFFAOYSA-N | BEAMSET 730 | bistrimethylolpropane tetraacrylate | Acrylic Acid [Oxybis(methylene)]bis(2

Specifications & Purity

≥90%

Storage

Room temperature

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 488188490
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188490
• Canonical Smiles: CCC(COCC(CC)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
• IUPAC Name: [2-[2,2-bis(prop-2-enoyloxymethyl)butoxymethyl]-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate
• InChIKey: XRMBQHTWUBGQDN-UHFFFAOYSA-N
• INCHI: 1S/C24H34O9/c1-7-19(25)30-15-23(11-5,16-31-20(26)8-2)13-29-14-24(12-6,17-32-21(27)9-3)18-33-22(28)10-4/h7-10H,1-4,11-18H2,5-6H3
• Isomeric SMILES: CCC(COCC(CC)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
• WGK Germany: 3
• Molecular Weight: 466.53
• Reaxy-Rn: 11029713
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11029713&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Acrylic acid esters Enoate esters Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Acrylic acid ester - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ether - Dialkyl ether - 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 tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four 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

• Refractive Index: 1.48
• Flash Point(°F): 235.4 °F
• Molecular Weight: 466.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 22
• Exact Mass: 466.22 Da
• Monoisotopic Mass: 466.22 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 615.000
• 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

1. Zhenxue Pan, Dan Wang, Xiang Guo, Yongming Li, Zongbo Zhang, Caihong Xu.  (2021)  High strength and microwave-absorbing polymer-derived SiCN honeycomb ceramic prepared by 3D printing.  JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,      [PMID:] [10.1016/j.jeurceramsoc.2021.12.003]