ChemicalBook--->CAS DataBase List--->17811-28-8

17811-28-8

17811-28-8 Structure

17811-28-8 Structure
IdentificationBack Directory
[Name]

zinniol
[CAS]

17811-28-8
[Synonyms]

zinniol
Zinniol >=90% (LC/MS-UV)
3-Methoxy-4-methyl-5-(3-methyl-2-butenyloxy)-1,2-benzenedimethanol
3-Methoxy-4-methyl-5-[(3-methyl-2-butenyl)oxy]-1,2-benzenedimethanol
1,2-Benzenedimethanol, 3-methoxy-4-methyl-5-[(3-methyl-2-buten-1-yl)oxy]-
[Molecular Formula]

C15H22O4
[MDL Number]

MFCD03273554
[MOL File]

17811-28-8.mol
[Molecular Weight]

266.33
Chemical PropertiesBack Directory
[Boiling point ]

425.3±40.0 °C(Predicted)
[density ]

1.106±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO: 1mg/mL
[form ]

solid
[pka]

14.13±0.10(Predicted)
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

1S/C15H22O4/c1-10(2)5-6-19-14-7-12(8-16)13(9-17)15(18-4)11(14)3/h5,7,16-17H,6,8-9H2,1-4H3
[InChIKey]

DUMQPTRUYCCSEZ-UHFFFAOYSA-N
[SMILES]

CC(C)=CCOC1=CC(CO)=C(CO)C(OC)=C1C
[LogP]

2.070 (est)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

29322090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

metabolomics
vitamins, nutraceuticals, and natural products
[Definition]

ChEBI: Zinniol is a member of methoxybenzenes.
[Biological Activity]

Antitumor activity''Natural product derived from fungal source.
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