2,2-Dimethyl-4-pentenoic acid Structure

2,2-Dimethyl-4-pentenoic acid

Chemical Properties

Melting point -9.25°C (estimate)
Boiling point 104-108 °C/20 mmHg (lit.)
Density  0.933 g/mL at 25 °C (lit.)
refractive index  n20/D 1.431(lit.)
Flash point 191 °F
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
form  Liquid
pka 4.75±0.10(Predicted)
color  Clear colorless to yellow
Water Solubility  Soluble in water.
InChI InChI=1S/C7H12O2/c1-4-5-7(2,3)6(8)9/h4H,1,5H2,2-3H3,(H,8,9)
InChIKey BGUAPYRHJPWVEM-UHFFFAOYSA-N
SMILES C(O)(=O)C(C)(C)CC=C
CAS DataBase Reference 16386-93-9
FDA UNII 8CR4G8F32N
UNSPSC Code 12352100

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordDanger
Hazard statements H314
Precautionary statements P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Hazard Codes  C
Risk Statements  34
Safety Statements  26-27-36/37/39-45
RIDADR  UN 3265 8/PG 2
WGK Germany  3
HazardClass  8
PackingGroup  III
HS Code  29161900
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Skin Corr. 1B
NFPA 704:
2
3 0

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