Isobutyrophenone Structure

Isobutyrophenone

Chemical Properties

Melting point 1 °C
Boiling point 217 °C (lit.)
Density  0.988 g/mL at 25 °C (lit.)
vapor pressure  1 mm Hg ( 50 °C)
refractive index  n20/D 1.517(lit.)
Flash point 184 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Sparingly), Methanol (Slightly)
form  Oil
color  Colourless
Water Solubility  immiscible
BRN  774499
Henry's Law Constant 5.7×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI 1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey BSMGLVDZZMBWQB-UHFFFAOYSA-N
SMILES CC(C)C(=O)c1ccccc1
LogP 2.73
CAS DataBase Reference 611-70-1(CAS DataBase Reference)
FDA UNII 8L53972NTZ
NIST Chemistry Reference Isopropyl phenyl ketone(611-70-1)
EPA Substance Registry System 1-Propanone, 2-methyl-1-phenyl- (611-70-1)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302
Precautionary statements P264-P270-P301+P312-P501
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
TSCA  TSCA listed
HS Code  29143900
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
2
2 0

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