ChemicalBook--->CAS DataBase List--->2680-81-1

2680-81-1

2680-81-1 Structure

2680-81-1 Structure
IdentificationBack Directory
[Name]

4-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]-2-methoxyphenol
[CAS]

2680-81-1
[Synonyms]

Dehydrodiisoeugenol
Dehydrodiisoeugenol, 98%, from Myristica fragrans Houtt.
4-(2,3-Dihydro-7-methoxy-3-methyl-5-propenyl-2-benzofuranyl)-2-methoxyphenol
Phenol, 4-[2,3-dihydro-7-methoxy-3-methyl-5-(1-propen-1-yl)-2-benzofuranyl]-2-methoxy-
2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
2β-(3-Methoxy-4-hydroxyphenyl)-3α-methyl-5-[(E)-1-propenyl]-7-methoxy-2,3-dihydrobenzofuran
4-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]-2-methoxyphenol
2-Methoxy-4-[(2R,3R)-2,3-dihydro-7-methoxy-3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]phenol
(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-1-propenyl]-3-methyl-7-methoxybenzofuran
4-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]-2-methoxyphenol USP/EP/BP
[Molecular Formula]

C20H22O4
[MDL Number]

MFCD13194820
[MOL File]

2680-81-1.mol
[Molecular Weight]

326.39
Chemical PropertiesBack Directory
[Melting point ]

133 °C
[Boiling point ]

452.0±45.0 °C(Predicted)
[density ]

1.160±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: ≥ 250 mg/mL (765.95 mM)
[form ]

powder
[pka]

9.80±0.35(Predicted)
[color ]

White
[Major Application]

food and beverages
[InChI]

1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5-
[InChIKey]

ITDOFWOJEDZPCF-WAYWQWQTSA-N
[SMILES]

O1C(C(c3c1c(cc(c3)\C=C/C)OC)C)c2cc(c(cc2)O)OC
[LogP]

4.188 (est)
Safety DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

WGK 3
[HS Code ]

29329990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

White needle-shaped crystals, soluble in methanol, almost insoluble in ether, derived from nutmeg.
[Uses]

Dehydrodiisoeugenol is a peroxisome proliferator-activated receptor (PPARS) agonist. An antidiabetic drug. It is an anxiogenic agent in cerebral nucleus of rat.
Spectrum DetailBack Directory
[Spectrum Detail]

4-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]-2-methoxyphenol(2680-81-1)MS
4-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]-2-methoxyphenol(2680-81-1)1HNMR
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