1-(4-Butylphenyl)ethan-1-one Structure

1-(4-Butylphenyl)ethan-1-one

Chemical Properties

Boiling point 101-102 °C1.5 mm Hg(lit.)
Density  0.957 g/mL at 25 °C(lit.)
refractive index  1.5170-1.5220
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform, Ethyl Acetate (Slightly)
form  Liquid
Specific Gravity 0.96
color  Clear colorless to pale yellow
Water Solubility  Not miscible in water.
InChI 1S/C12H16O/c1-3-4-5-11-6-8-12(9-7-11)10(2)13/h6-9H,3-5H2,1-2H3
InChIKey MQESVSITPLILCO-UHFFFAOYSA-N
SMILES CCCCc1ccc(cc1)C(C)=O
CAS DataBase Reference 37920-25-5(CAS DataBase Reference)
FDA UNII 6738CF9Z8V
NIST Chemistry Reference P-n-butylacetophenone(37920-25-5)
EPA Substance Registry System Ethanone, 1-(4-butylphenyl)- (37920-25-5)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P271-P280
Hazard Codes  Xn,Xi
Risk Statements  22-36/37/38
Safety Statements  23-26-36/37/39
WGK Germany  3
Autoignition Temperature >110℃
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  29143990
Storage Class 10 - Combustible liquids
NFPA 704:
1
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