104872-06-2

Name (3S,4S)-3-HEXYL-4-[(R)-2-(HYDROXYTRIDECYL)]OXETAN-2-ONE
CAS 104872-06-2
EINECS(EC#) 418-650-2
Molecular Formula C22H42O3
MDL Number MFCD13185910
Molecular Weight 354.57
MOL File 104872-06-2.mol
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Chemical Properties

Melting point  61-62 °C
Boiling point  467.9±18.0 °C(Predicted)
density  0.935
storage temp.  Inert atmosphere,Store in freezer, under -20°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 14.71±0.20(Predicted)
color  White to Off-White
Major Application pharmaceutical (small molecule)
InChI 1S/C22H42O3/c1-3-5-7-9-10-11-12-13-14-16-19(23)18-21-20(22(24)25-21)17-15-8-6-4-2/h19-21,23H,3-18H2,1-2H3/t19-,20+,21+/m1/s1
InChIKey RSOUWOFYULUWNE-HKBOAZHASA-N
SMILES O1[C@H]([C@@H](C1=O)CCCCCC)C[C@H](O)CCCCCCCCCCC

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
Signal word  Danger
Hazard statements  H302-H361-H372-H410
Precautionary statements  P201-P264-P280-P301+P330+P331-P312
Hazard Codes  N
Risk Statements 
Safety Statements 
REACH Registrations Inactive
HS Code  2932206000
Storage Class 11 - Combustible Solids

Hazard Information

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