108-59-8

Name Dimethyl malonate
CAS 108-59-8
EINECS(EC#) 203-597-8
Molecular Formula C5H8O4
MDL Number MFCD00008460
Molecular Weight 132.11
MOL File 108-59-8.mol
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Chemical Properties

Appearance liquid
Melting point  -62 °C (lit.)
Boiling point  180-181 °C (lit.)
density  1.156 g/mL at 25 °C(lit.)
vapor density  >1 (vs air)
vapor pressure  0.15 hPa (20 °C)
refractive index  n20/D 1.413(lit.)
Fp  194 °F
storage temp.  Store below +30°C.
solubility  alcohol: miscible
form  Liquid
pka 11.80±0.46(Predicted)
color  Clear colorless
Odor fruity
Stability: Stable. Incompatible with strong oxidizing agents. Flammable.
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℃）
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)
NIST Chemistry Reference Propanedioic acid, dimethyl ester(108-59-8)
EPA Substance Registry System 108-59-8(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  NA1993
WGK Germany  1
RTECS  OO0950000
Autoignition Temperature 440 °C
Hazard Note  Irritant
TSCA  Yes
REACH Registrations Active
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

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