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223743

Sigma-Aldrich

4-Hydroxy-3-methoxyphenylacetonitrile

99%

Synonym(s):

Homovanillonitrile

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About This Item

Linear Formula:
HOC6H3(OCH3)CH2CN
CAS Number:
4468-59-1
Molecular Weight:
163.17
EC Number:
224-739-5
MDL number:
MFCD00001920
UNSPSC Code:
12352100
PubChem Substance ID:
24853401

assay

99%

bp

135-145 °C/2 mmHg (lit.)

mp

56-57 °C (lit.)

SMILES string

COc1cc(CC#N)ccc1O

InChI

1S/C9H9NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4H2,1H3

InChI key

SDVYWMWQCJEYTC-UHFFFAOYSA-N

General description

4-Hydroxy-3-methoxyphenylacetonitrile is a phenolic glycoside which is isolated from commercial Adenophora roots.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Yuka Koike et al.
Journal of natural medicines, 64(3), 245-251 (2010-03-17)
Five novel phenolic glycosides, adenophorasides A (1), B (2), C (3), D (4), and E (5), were isolated from commercial Adenophora roots, together with vanilloloside (6), 3,4-dimethoxybenzyl alcohol 7-O-beta-D: -glucopyranoside (7), and lobetyolin (8). The structures of the new compounds

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