Dimethyl isobutylmalonate Structure

Dimethyl isobutylmalonate

Chemical Properties

Boiling point 213 °C (lit.)
Density  1.012 g/mL at 25 °C (lit.)
refractive index  n20/D 1.424(lit.)
Flash point 208 °F
storage temp.  Sealed in dry,Room Temperature
form  Liquid
pka 12.96±0.46(Predicted)
color  Clear colorless to light yellow
InChI 1S/C9H16O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h6-7H,5H2,1-4H3
InChIKey GAZFDPSEEIVCEX-UHFFFAOYSA-N
SMILES COC(=O)C(CC(C)C)C(=O)OC
CAS DataBase Reference 39520-24-6(CAS DataBase Reference)
FDA UNII AW4UPK6QMV
EPA Substance Registry System Propanedioic acid, (2-methylpropyl)-, dimethyl ester (39520-24-6)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
TSCA  TSCA listed
HS Code  29171900
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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Dimethyl isobutylmalonate Spectrum