Di(trimethylolpropane) - ≥98%(GC) , CAS No.23235-61-2

CAS: 23235-61-2 Cat. No.: D154716 Formule: C₁₂H₂₆O₅ Poids moléculaire: 250.34 Numéro CE: 245-509-0

GRADE & PURITY ≥98%(GC)

Synonyms

Boc-L-Aspartic acid-4-benzyl ester | Tox21_301690 | (E)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide | 3,3,7,7-TETRAKIS(HYDROXYMETHYL)-5-OXANONANE | FT-0625373 | AS-69320 | Di(trimethylolpropane), 97% | Ditrimethyl

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Di(trimethylolpropane) is a monomeric unit with primary hydroxyl groups, that can be used as a tetrafunctional core molecule.
Application
Di(trimethylolpropane) can be used for the synthesis of lipase catalyzed hyperbranched polymers. It can also be used in the formation of biodegradable polymers for drug delivery applications.

Specifications

Synonymes

Boc-L-Aspartic acid-4-benzyl ester | Tox21_301690 | (E)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide | 3,3,7,7-TETRAKIS(HYDROXYMETHYL)-5-OXANONANE | FT-0625373 | AS-69320 | Di(trimethylolpropane), 97% | Ditrimethyl

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488186590

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186590

Sourires canoniques

CCC(CO)(CO)COCC(CC)(CO)CO

IUPAC Name

2-[2,2-bis(hydroxymethyl)butoxymethyl]-2-ethylpropane-1,3-diol

InChIKey

WMYINDVYGQKYMI-UHFFFAOYSA-N

INCHI

1S/C12H26O5/c1-3-11(5-13,6-14)9-17-10-12(4-2,7-15)8-16/h13-16H,3-10H2,1-2H3

Isomères SMILES

CCC(CO)(CO)COCC(CC)(CO)CO

Poids moléculaire

250.34

Reaxy-Rn

1860782

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1860782&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point d'ébullition (°C): 215 °C/5 mmHg
• Point de fusion (°C): 110 °C
• Poids moléculaire: 250.330 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 250.178 Da
• Monoisotopic Mass: 250.178 Da
• Topological Polar Surface Area: 90.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 167.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 23235-61-2, the molecular formula is C12H26O5, and the molecular weight is 250.34 g/mol. InChIKey WMYINDVYGQKYMI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.