5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol Structure

5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol

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 activity [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
FDA UNII KFY70972J5
UNSPSC Code 12352200
NACRES NA.77

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H336
Precautionary statements P261-P271-P304+P340+P312-P403+P233-P405-P501
Safety Statements  22-24/25
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications STOT SE 3
NFPA 704:
3
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5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol Chemical Properties,Usage,Production

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