ChemicalBook--->CAS DataBase List--->52190-21-3

52190-21-3

52190-21-3 Structure

52190-21-3 Structure
IdentificationBack Directory
[Name]

Myrislignan
[CAS]

52190-21-3
[Synonyms]

(rel)-Myrislignan
4-[2-(4-Allyl-2,6-dimethoxyphenoxy)-1-hydroxypropyl]-2-methoxyphenol
4-[2-(4-Allyl-2,6-dimethoxyphenoxy)-1-hydroxypropyl]-2-methoxyphenol >=95% (LC/MS-ELSD)
Benzenemethanol, α-[(1R)-1-[2,6-dimethoxy-4-(2-propen-1-yl)phenoxy]ethyl]-4-hydroxy-3-methoxy-, (αS)-rel-
[Molecular Formula]

C21H26O6
[MDL Number]

MFCD24849322
[MOL File]

52190-21-3.mol
[Molecular Weight]

374.43
Chemical PropertiesBack Directory
[Boiling point ]

537.6±50.0 °C(Predicted)
[density ]

1.167±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

-20°C
[solubility ]

Soluble in DMSO
[form ]

solid
[pka]

9.94±0.31(Predicted)
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3/t13-,20-/m1/s1
[InChIKey]

ULZFTGWWPHYLGI-ZUOKHONESA-N
[SMILES]

COc1cc(ccc1O)[C@H](O)[C@@H](C)Oc2c(OC)cc(CC=C)cc2OC
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H410
[Precautionary statements ]

P273-P501
[Hazard Codes ]

N
[Risk Statements ]

50
[Safety Statements ]

61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Hazard InformationBack Directory
[Uses]

metabolomics
vitamins, nutraceuticals, and natural products
[Definition]

ChEBI: 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol is a phenylpropanoid.
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