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14721-66-5

14721-66-5 Structure

14721-66-5 Structure
IdentificationBack Directory
[Name]

PHYTANIC ACID
[CAS]

14721-66-5
[Synonyms]

C01607
Phytanate
PHYTANIC ACID
Phytanoic Acid
METHYLATED PHYTANIC ACID
3,7,11,15-TETRAMETHYLHEXADECANOIC ACID
Phytanic acid >=96%, mixture of isomers
Hexadecanoic acid, 3,7,11,15-tetramethyl-
Phytanic acid,3,7,11,15-Tetramethylhexadecanoic acid
[Molecular Formula]

C20H40O2
[MDL Number]

MFCD00133772
[MOL File]

14721-66-5.mol
[Molecular Weight]

312.53
Chemical PropertiesBack Directory
[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)
[form ]

Liquid
[pka]

4.79±0.10(Predicted)
[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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[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
Hazard InformationBack Directory
[Description]

Phytanic acid is a saturated 20-carbon branched-chain fatty acid which can only be derived from dietary sources. In cases of peroxisomal disorders, elevated levels of phytanic acid have been observed, and this is linked to diseases such as infantile phytanic acid storage disease and Refsum’s disease.
[Uses]

Phytanoic Acid was useful for studying lipid metabolism in porcine oocytes.
[Definition]

ChEBI: Phytanic acid is a branched-chain saturated fatty acid consisting of hexadecanoic acid carrying methyl substituents at positions 3, 7, 11 and 15. It is a branched-chain saturated fatty acid, a long-chain fatty acid and a methyl-branched fatty acid. It is functionally related to a hexadecanoic acid. It is a conjugate acid of a phytanate. It derives from a hydride of a phytane.
[IC 50]

Human Endogenous Metabolite
[References]

[1] R.J.A. WANDERS . Infantile phytanic acid storage disease, a disorder of peroxisome biogenesis: a case report[J]. Journal of the Neurological Sciences, 1990, 98 1: Pages 1-11. DOI: 10.1016/0022-510x(90)90177-o
Spectrum DetailBack Directory
[Spectrum Detail]

PHYTANIC ACID(14721-66-5)1HNMR
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