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87657-77-0

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87657-77-0 Structure

87657-77-0 Structure
IdentificationBack Directory
[Name]

Benzenepentanol, α-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-
[CAS]

87657-77-0
[Synonyms]

1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanol
Benzenepentanol, α-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-
[Molecular Formula]

C20H26O3
[MDL Number]

MFCD34593644
[MOL File]

87657-77-0.mol
[Molecular Weight]

314.42
Chemical PropertiesBack Directory
[Boiling point ]

494.6±45.0 °C(Predicted)
[density ]

1.100±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

TBD:0.0(Max Conc. mg/mL);0.0(Max Conc. mM)
[form ]

Solid
[pka]

10.15±0.20(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C20H26O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,18,21-22H,5-6,9-11,13H2,1H3
[InChIKey]

DHUCMVAZNHOIPY-UHFFFAOYSA-N
[SMILES]

C(C1C=CC(O)=C(OC)C=1)CC(O)CCCCC1C=CC=CC=1
Hazard InformationBack Directory
[Uses]

Oxyphyllacinol is a natural product that can be derived from the fruit of Alpinia oxyphylla[1].
[References]

[1] Hui LY, et, al. Nine Representative Phytochemicals Occurring in Leaves and Rhizomes of Alpinia oxyphylla Different to Those of Fruits Determined Using LC-MS/MS. 2015 Feb 20;27(5):1837-42.
Spectrum DetailBack Directory
[Spectrum Detail]

Benzenepentanol, α-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-(87657-77-0)1HNMR
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