Trimethylolpropane allyl ether(TMPME) - ≥95% , CAS No.682-11-1

CAS: 682-11-1 Cat. No.: T487225 Formula: C₉H₁₈O₃ Molecular Weight: 174.24 EC Number: 211-662-7 PubChem CID: 12683

GRADE & PURITY ≥95%

Synonyms

2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol | 1,1,1-Trimethylolpropane monoallyl ether | 2-(Allyloxymethyl)-2-ethyl-1,3-propanediol

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Trimethylolpropane diallylether.The molecular structure contains two hydroxyl groups and one double bond, primarily used for silicone modification, polyurethane-modified water-soluble resins, epoxy resins, cross-linking agents in the main chains of unsaturated polyesters, and automotive coatings.

Specifications

Synonyms

2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol | 1,1,1-Trimethylolpropane monoallyl ether | 2-(Allyloxymethyl)-2-ethyl-1,3-propanediol

Specifications & Purity

≥95%

Storage

Protected from light,Room temperature

Shipped In

Normal

Purity

≥95%

Product Line

T487225-25ml

Names and Identifiers

Pubchem Sid

504752382

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752382

Canonical Smiles

CCC(CO)(CO)COCC=C

IUPAC Name

2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol

InChIKey

LZDXRPVSAKWYDH-UHFFFAOYSA-N

INCHI

1S/C9H18O3/c1-3-5-12-8-9(4-2,6-10)7-11/h3,10-11H,1,4-8H2,2H3

Isomeric SMILES

CCC(CO)(CO)COCC=C

PubChem CID

12683

Molecular Weight

174.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl 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

• Sensitivity: Light sensitive
• Refractive Index: n20/D 1.467 (lit.)
• Flash Point(°F): 235.4 °F - closed cup
• Flash Point(°C): 113 °C - closed cup
• Boil Point(°C): 160℃/33mmHg (lit.)
• Molecular Weight: 174.240 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 174.126 Da
• Monoisotopic Mass: 174.126 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 119.000
• 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