6-(5-carboxy-5-methyl-hexoxy)-2,2-dimethyl-hexanoic acid Structure

6-(5-carboxy-5-methyl-hexoxy)-2,2-dimethyl-hexanoic acid

Chemical Properties

Melting point 49-51 °C
Boiling point 453.6±30.0 °C(Predicted)
Density  1.048±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO: ≥ 125 mg/mL (413.35 mM)
pka 4.52±0.45(Predicted)
form  Solid
color  White to off-white
InChI 1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)
InChIKey SDMBRCRVFFHJKR-UHFFFAOYSA-N
SMILES O=C(O)C(CCCCOCCCCC(C(O)=O)(C)C)(C)C
FDA UNII B96UX1DDKS
UNSPSC Code 51111800
NACRES NA.77

Safety

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

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