Dimethyl malonate Structure

Dimethyl malonate

Chemical Properties

Melting point −62 °C (−80 °F; 211 K)
Boiling point 180 to 181 °C (356 to 358 °F; 453 to 454 K)
Density  1.154
vapor density  >1 (vs air)
vapor pressure  0.15 hPa (20 °C)
FLAVIS Number 09.558 | Dimethyl malonate
refractive index  1.41
Flash point 91 °C
storage temp.  Store below +30°C.
solubility  alcohol: miscible
pka 11.80±0.46(Predicted)
form  liquid
color  Colorless
Odor fruity
explosive limit 1.3-17.4%(V)
Water Solubility  negligible
Merck  14,6096
BRN  774261
Henry's Law Constant 3.8×101 mol/(m3Pa) at 25℃, Katrib et al. (2003)
Dielectric constant 10.4(20℃)
Stability Stable. Incompatible with strong oxidizing agents. Flammable.
InChI 1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3
InChIKey BEPAFCGSDWSTEL-UHFFFAOYSA-N
SMILES COC(=O)CC(=O)OC
LogP -0.05 at 20-25℃ and pH6.4
CAS DataBase Reference 108-59-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII EM8Y79998C
NIST Chemistry Reference Propanedioic acid, dimethyl ester(108-59-8)
EPA Substance Registry System Dimethyl malonate (108-59-8)
UNSPSC Code 12352108
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H319
Precautionary statements P264-P280-P305+P351+P338-P337+P313
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
RIDADR  NA1993
WGK Germany  1
RTECS  OO0950000
Autoignition Temperature 440 °C
Hazard Note  Irritant
TSCA  TSCA listed
HazardClass  CBL
HS Code  29171910
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Toxicity LD50 orally in Rabbit: 5331 mg/kg LD50 dermal Rabbit > 5000 mg/kg
NFPA 704:
1
2 0

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