553-84-4

Name perilla ketone
CAS 553-84-4
Molecular Formula C10H14O2
Molecular Weight 166.219
MOL File 553-84-4.mol
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Chemical Properties

Boiling point  bp 196°
density  d1515 0.9920
refractive index  nD20 1.4781
storage temp.  Amber Vial, Refrigerator, Under inert atmosphere
solubility  Acetone (Slightly), Chloroform (Slightly), Methanol (Sparingly)
form  Oil
color  Light-yellow liquid
Stability: Light Sensitive
InChI InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3
InChIKey LVHLZMUFIYAEQB-UHFFFAOYSA-N
SMILES C(C1C=COC=1)(=O)CCC(C)C
LogP 2.760
CAS DataBase Reference 553-84-4

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H301-H315-H319-H335
Precautionary statements  P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety Profile
Poison by intravenous and intraperitoneal routes. A potent pulmonary edemagenic agent (experimental). May also be hazardous to humans. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes
Toxicity
LD50 in female, male mice, male rats (mg/kg): 2.5, 6, 10 i.p. (Wilson)

Hazard Information

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