Diethyl bis(hydroxymethyl)malonate

• CAS: 20605-01-0
• Catalog Number: ACM-MO-20605010
• Category: Polymer/Macromolecule; Alcohol-Difunctional
• Molecular Weight: 220.22 g/mol
• Molecular Formula: C9H16O6
• Synonyms: Diethyl 2,2-bis(hydroxymethyl)malonate
• IUPAC Name: diethyl 2,2-bis(hydroxymethyl)propanedioate
• Canonical SMILES: CCOC(=O)C(CO)(CO)C(=O)OCC
• InChI: 1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3
• InChI Key: WIOHBOKEUIHYIC-UHFFFAOYSA-N
• Boiling Point: 351.3±37.0 °C
• Melting Point: 49-51 °C
• Appearance: White to Almost White Crystalline Solid
• Application: Reagent for preparing 1,3-dioxanes from acetals, aldehydes, and ketones.
• Assay: 97%
• Complexity: 201
• Covalently-Bonded Unit Count: 1
• EC Number: 243-916-8
• Exact Mass: 220.094688g/mol
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• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 15
• MDL Number: MFCD00009130
• Monoisotopic Mass: 220.094688g/mol
• NACRES: NA.23
• NSC Number: 218327
• Packaging: Packaging; 25, 100 g in glass bottle
• PubChem ID: 24851874
• Quality Level: 100
• Rotatable Bond Count: 8
• Specific Gravity: 1.224
• XLogP3: -0.6

Custom Q&A

What is the molecular formula of Diethyl bis(hydroxymethyl)malonate?

The molecular formula of Diethyl bis(hydroxymethyl)malonate is C9H16O6.

What is the molecular weight of Diethyl bis(hydroxymethyl)malonate?

The molecular weight of Diethyl bis(hydroxymethyl)malonate is 220.22 g/mol.

What is the IUPAC name of Diethyl bis(hydroxymethyl)malonate?

The IUPAC name of Diethyl bis(hydroxymethyl)malonate is diethyl 2,2-bis(hydroxymethyl)propanedioate.

What is the InChI of Diethyl bis(hydroxymethyl)malonate?

The InChI of Diethyl bis(hydroxymethyl)malonate is InChI=1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3.

What is the InChIKey of Diethyl bis(hydroxymethyl)malonate?

The InChIKey of Diethyl bis(hydroxymethyl)malonate is WIOHBOKEUIHYIC-UHFFFAOYSA-N.

What is the canonical SMILES of Diethyl bis(hydroxymethyl)malonate?

The canonical SMILES of Diethyl bis(hydroxymethyl)malonate is CCOC(=O)C(CO)(CO)C(=O)OCC.

What is the CAS number of Diethyl bis(hydroxymethyl)malonate?

The CAS number of Diethyl bis(hydroxymethyl)malonate is 20605-01-0.

What is the EC number of Diethyl bis(hydroxymethyl)malonate?

The EC number of Diethyl bis(hydroxymethyl)malonate is 243-916-8.

What is the DSSTox Substance ID of Diethyl bis(hydroxymethyl)malonate?

The DSSTox Substance ID of Diethyl bis(hydroxymethyl)malonate is DTXSID10885143.

Is Diethyl bis(hydroxymethyl)malonate a canonicalized compound?

Yes, Diethyl bis(hydroxymethyl)malonate is a canonicalized compound.