71109-09-6

Name 4-cyclohexyl-alpha-methylnaphthalene-1-acetic acid
CAS 71109-09-6
EINECS(EC#) 275-196-6
Molecular Formula C19H22O2
MDL Number MFCD00866019
Molecular Weight 282.377
MOL File 71109-09-6.mol
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Chemical Properties

Appearance Crystalline Solid
Melting point  150°C
Boiling point  465.9±14.0 °C(Predicted)
density  1.132±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  DMF: 25 mg/ml; DMSO: 10 mg/ml; Ethanol: 10 mg/ml
form  neat
pka 4.90±0.30(Predicted)
color  White to off-white
BRN  5568831
Major Application forensics and toxicology
pharmaceutical (small molecule)
InChI 1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)
InChIKey VZUGVMQFWFVFBX-UHFFFAOYSA-N
SMILES CC(C(O)=O)c1ccc(C2CCCCC2)c3ccccc13
EPA Substance Registry System 1-Naphthaleneacetic acid, 4-cyclohexyl-.alpha.-methyl- (71109-09-6)

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Toxicity
LD50 orally in rat: 400 mg/kg (Godfroid)

Hazard Information

Spectrum Detail

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