ChemicalBook--->CAS DataBase List--->3158-56-3

3158-56-3

3158-56-3 Structure

3158-56-3 Structure
IdentificationBack Directory
[Name]

5-pentadecylresorcinol
[CAS]

3158-56-3
[Synonyms]

cardol
Nsc 776
Adipostatin A
Einecs 221-599-7
Resorcinol, pentadecyl-
Resorcinol, 5-pentadecyl
5-N-PENTADECYLRESORCINOL
5-PENTADECYL-1,3-BENZENEDIOL)
1,3-Benzenediol, 5-pentadecyl-
[EINECS(EC#)]

221-599-7
[Molecular Formula]

C21H36O2
[MDL Number]

MFCD00002292
[MOL File]

3158-56-3.mol
[Molecular Weight]

320.51
Chemical PropertiesBack Directory
[Melting point ]

89-90 °C
[Boiling point ]

452.5±15.0 °C(Predicted)
[density ]

0.960±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMF: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble
[form ]

neat
[pka]

9.55±0.10(Predicted)
[color ]

Off-white to light yellow
[BRN ]

1982742
[InChI]

InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3
[InChIKey]

KVVSCMOUFCNCGX-UHFFFAOYSA-N
[SMILES]

C1(O)=CC(CCCCCCCCCCCCCCC)=CC(O)=C1
[EPA Substance Registry System]

1,3-Benzenediol, 5-pentadecyl- (3158-56-3)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

41-43
[Safety Statements ]

26-36/37-39
[WGK Germany ]

3
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Uses]

5-Pentadecylresorcinol is one of the major active components in wheat bran with inhibitory activity against colon cancer cell growth. 5-Pentadecylresorcinol also has antioxidant activity and protective effects on cell viability of PC-12 AC cells.
[Definition]

ChEBI: Resorcinol substituted at position 5 by a pentadecyl chain.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

5-pentadecylresorcinol(3158-56-3)MS
5-pentadecylresorcinol(3158-56-3)IR1
5-pentadecylresorcinol(3158-56-3)IR2
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