83002-04-4

Name 5-(1,1-DIMETHYLHEPTYL)-2-[5-HYDROXY-2-(3-HYDROXYPROPYL)CYCLOHEXYL]PHENOL
CAS 83002-04-4
Molecular Formula C24H40O3
MDL Number MFCD00673965
Molecular Weight 376.57
MOL File 83002-04-4.mol

Chemical Properties

Melting point  65-68 °C
Boiling point  494.4±45.0 °C(Predicted)
density  1.026±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: 15 mg/mL, soluble
form  solid
pka 10.25±0.40(Predicted)
Optical Rotation [α]/D -24 to -30°, c =0.2 in chloroform-d
InChI 1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
InChIKey YNZFFALZMRAPHQ-SYYKKAFVSA-N
SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1

Safety Data

Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications STOT SE 3

Hazard Information

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