62201-71-2

Name 12-O-Methylcarnosic acid
CAS 62201-71-2
Molecular Formula C21H30O4
MDL Number MFCD24849312
Molecular Weight 346.46
MOL File 62201-71-2.mol
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Chemical Properties

Boiling point  505.1±50.0 °C(Predicted)
density  1.131±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO : 50 mg/mL (144.32 mM; Need ultrasonic)
form  A solid
pka 4.12±0.40(Predicted)
color  White to yellow
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI 1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1
InChIKey QQNSARJGBPMQDI-YCRPNKLZSA-N
SMILES COc1c(O)c2c(CC[C@H]3C(C)(C)CCC[C@]23C(O)=O)cc1C(C)C

Safety Data

Hazard Codes  Xn,N
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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