Phytanic acid Structure

Phytanic acid

Chemical Properties

Melting point -65°C
Boiling point 391.36°C (estimate)
Density  0.8888 (rough estimate)
refractive index  1.4461 (estimate)
storage temp.  2-8°C
solubility  0.15 M Tris-HCl pH 8.5: >1 mg/ml (from Oleic Acid); DMF: >100 mg/ml (from Oleic Acid); DMSO: >100 mg/ml (from Oleic Acid); Ethanol: >100 mg/ml (from Oleic Acid); PBS pH 7.2: <100 μg/ml (from Oleic Acid)
pka 4.79±0.10(Predicted)
form  Liquid
color  Colorless to light yellow
biological source synthetic (organic)
InChI 1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
InChIKey RLCKHJSFHOZMDR-UHFFFAOYSA-N
SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O
FDA UNII 8OYE5TF5VL
UNSPSC Code 12352211
NACRES NA.25

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
3
2 0

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