104801-96-9

Name 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one
CAS 104801-96-9
Molecular Formula C22H42O3
MDL Number MFCD09833467
Molecular Weight 354.571
MOL File 104801-96-9.mol
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Chemical Properties

Melting point  108-109 ºC
Boiling point  483.2±28.0 °C(Predicted)
density  0.931
storage temp.  2-8°C
pka 13.57±0.60(Predicted)
InChI InChI=1S/C22H42O3/c1-3-5-7-9-10-11-12-13-14-16-19-18-21(23)20(22(24)25-19)17-15-8-6-4-2/h19-21,23H,3-18H2,1-2H3/t19-,20+,21+/m1/s1
InChIKey LRXRIVSWHMVULO-HKBOAZHASA-N
SMILES C1(=O)O[C@H](CCCCCCCCCCC)C[C@H](O)[C@@H]1CCCCCC

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
HS Code  29329990

Hazard Information

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