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HomeProduct name listDimethyl 1,3-acetonedicarboxylate

Dimethyl 1,3-acetonedicarboxylate

Synonym(s):Dimethyl-3-oxoglutarate

  • CAS NO.:1830-54-2
  • Empirical Formula: C7H10O5
  • Molecular Weight: 174.15
  • MDL number: MFCD00008462
  • EINECS: 217-385-8
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-18 14:15:30
Dimethyl 1,3-acetonedicarboxylate Structural

What is Dimethyl 1,3-acetonedicarboxylate?

Chemical properties

colorless to yellowish

The Uses of Dimethyl 1,3-acetonedicarboxylate

Dimethyl 1,3-acetonedicarboxylate is used as intermediate for the syntheses of organic chemicals. Product Data Sheet

The Uses of Dimethyl 1,3-acetonedicarboxylate

Dimethyl-1,3-acetonedicarboxylate is used in the preparation of optically active lycorane. It has also been substituted into bispidone derivatives for their use as ligands in PET imaging.

Definition

ChEBI: 4(R),8-dimethyl-trans-2-nonenoyl-CoA is an oxo carboxylic acid.

Properties of Dimethyl 1,3-acetonedicarboxylate

Melting point: 16-17°C
Boiling point: 237-241 °C/760 mmHg (lit.)
Density  1.206 g/mL at 20 °C (lit.)
refractive index  n20/D 1.444(lit.)
Flash point: >230 °F
storage temp.  2-8°C
solubility  Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka 9.06±0.50(Predicted)
form  Liquid
color  Clear colorless to light yellow
Water Solubility  approx. 120 g/L (20 ºC)
BRN  1366042
CAS DataBase Reference 1830-54-2(CAS DataBase Reference)
NIST Chemistry Reference Pentanedioic acid, 3-oxo-, dimethyl ester(1830-54-2)
EPA Substance Registry System Pentanedioic acid, 3-oxo-, dimethyl ester (1830-54-2)

Safety information for Dimethyl 1,3-acetonedicarboxylate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H317:Sensitisation, Skin
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P272:Contaminated work clothing should not be allowed out of the workplace.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.

Computed Descriptors for Dimethyl 1,3-acetonedicarboxylate

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