Diethyl bis(hydroxymethyl)malonate , 97% , 20605-01-0

Synonym(s):
Diethyl 2,2-bis(hydroxymethyl)malonate

CAS NO.：20605-01-0

Empirical Formula: C9H16O6

Molecular Weight: 220.22

MDL number: MFCD00009130

EINECS: 243-916-8

PRODUCT Properties

• Melting point: 49-51 °C (lit.)
• Boiling point: 281.15°C (rough estimate)
• Density: 1.2286 (rough estimate)
• refractive index: 1.4390 (estimate)
• Flash point: >230 °F
• storage temp.: Sealed in dry,Room Temperature
• form: Crystalline Solid
• pka: 12.59±0.10(Predicted)
• color: White to almost white
• Water Solubility: Slightly soluble in water.
• BRN: 1788515
• InChI: InChI=1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3
• InChIKey: WIOHBOKEUIHYIC-UHFFFAOYSA-N
• SMILES: C(OCC)(=O)C(CO)(CO)C(OCC)=O
• CAS DataBase Reference: 20605-01-0(CAS DataBase Reference)
• NIST Chemistry Reference: Diethyl bis(hydroxymethyl)malonate(20605-01-0)
• EPA Substance Registry System: Propanedioic acid, bis(hydroxymethyl)-, diethyl ester (20605-01-0)

Description and Uses

Diethyl bis(hydroxymethyl)malonate is used as a reagent for preparing 1,3-dioxanes from acetals, aldehydes and ketones. It is also used as an intermediate for the preparation of substituted malonic, acrylic and isobutyric esters, for conversion to the useful dienophiles, ?-bromomethylacrylic acid and its ethyl ester and to bis(bromomethyl)acetic acid and its methyl ester.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 23-24/25-36-26
• WGK Germany: 3
• TSCA: Yes
• HazardClass: IRRITANT
• HS Code: 29181998