30950-27-7

Name Perillartine
CAS 30950-27-7
EINECS(EC#) 250-402-7
Molecular Formula C10H15NO
MDL Number MFCD00019421
Molecular Weight 165.23
MOL File 30950-27-7.mol

Chemical Properties

Melting point  102°C
Boiling point  293.09°C (rough estimate)
density  1.0203 (rough estimate)
refractive index  1.5200 (estimate)
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
solubility  DMSO : ≥ 100 mg/mL (605.22 mM);Water : < 0.1 mg/mL (insoluble)
form  solid
pka 11.45±0.28(Predicted)
color  Very sweet crystals
InChI InChI=1S/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3/b11-7+
InChIKey XCOJIVIDDFTHGB-YRNVUSSQSA-N
SMILES C(C1CC=C(/C=N/O)CC1)(=C)C
NIST Chemistry Reference Perillartine(30950-27-7)
EPA Substance Registry System 1-Cyclohexene-1carboxaldehyde, 4-(1-methylethenyl)-, oxime, (E)-(30950-27-7)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319-H335-H315
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Risk Statements 
Safety Statements 
TSCA  TSCA listed
HS Code  2928009090
Toxicity
LD50 orl-rat: 2500 mg/kg AFDOAQ 15,82,51

Hazard Information

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