68489-09-8

Name WS 12
CAS 68489-09-8
EINECS(EC#) 256-974-4
Molecular Formula C18H27NO2
MDL Number MFCD11100191
Molecular Weight 289.416
MOL File 68489-09-8.mol

Chemical Properties

Boiling point  447.8±28.0 °C(Predicted)
density  1.029±0.06 g/cm3(Predicted)
vapor pressure  0-0Pa at 20-50℃
FEMA  4681 | (1R,2S,5R)-N-(4-METHOXYPHENYL)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXANECARBOXAMIDE
storage temp.  Store at -20°C
solubility  DMSO: >20mg/mL
form  White to off-white powder.
pka 14.18±0.70(Predicted)
color  white to off-white
Odor at 100.00 %. cool minty
Odor Type minty
JECFA Number 2079
InChI 1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16,17/m1/s1
InChIKey HNSGVPAAXJJOPQ-XOKHGSTOSA-N
SMILES COc1ccc(NC(=O)C2C[C@H](C)CC[C@H]2C(C)C)cc1
LogP 3.95 at 22℃ and pH7.7
CAS DataBase Reference 68489-09-8

Safety Data

Symbol(GHS)  Environment (GHS09)
GHS09
Signal word  Warning
Hazard statements  H410
Precautionary statements  P273-P391-P501
Hazard Codes  N
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9 / PGIII
WGK Germany  WGK 3
REACH Registrations Active
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1

Hazard Information

Spectrum Detail

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