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59940

Sigma-Aldrich

Isovanillin

≥95.0%

Sinónimos:

3-Hydroxy-4-methoxybenzaldehyde, 3-Hydroxyanisaldehyde

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About This Item

Fórmula empírica (notación de Hill):
C8H8O3
Número de CAS:
621-59-0
Peso molecular:
152.15
Beilstein/REAXYS Number:
1073021
EC Number:
210-694-9
MDL number:
MFCD00003369
UNSPSC Code:
12352100
PubChem Substance ID:
57651707
NACRES:
NA.22

assay

≥95.0%

mp

112-116 °C

SMILES string

COc1ccc(C=O)cc1O

InChI

1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3

InChI key

JVTZFYYHCGSXJV-UHFFFAOYSA-N

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Analysis Note

appearance: white/colorless to brown

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

>212.0 °F

flash_point_c

> 100 °C

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Georgios I Panoutsopoulos et al.
European journal of drug metabolism and pharmacokinetics, 29(2), 111-118 (2004-07-03)
2-Phenylethylamine is an endogenous constituent of human brain and is implicated in cerebral transmission. It is also found in certain foodstuffs and may cause toxic side-effects in susceptible individuals. Metabolism of 2-phenylethylamine to phenylacetaldehyde is catalyzed by monoamine oxidase and
Georgios I Panoutsopoulos et al.
Acta biochimica Polonica, 51(4), 943-951 (2004-12-31)
The enzymes aldehyde oxidase and xanthine oxidase catalyze the oxidation of a wide range of N-heterocycles and aldehydes. These enzymes are widely known for their role in the metabolism of N-heterocyclic xenobiotics where they provide a protective barrier by aiding
S E Clarke et al.
Drug metabolism and disposition: the biological fate of chemicals, 23(2), 251-254 (1995-02-01)
Famciclovir is the diacetyl 6-deoxy derivative of the active antiviral penciclovir that is for use in the treatment of infections caused by the herpes family of viruses. The major pathway of conversion is via di-deacetylation to BRL 42359, followed by
Antonio Rescigno et al.
Drug testing and analysis, 3(3), 176-181 (2010-12-03)
A number of vanilloids have been tested as tyrosinase inhibitors using Ligand-Based Virtual Screening (LBVS) driven by QSAR (Quantitative Structure-Activity Relationship) models as the multi-agent classification system. A total of 81 models were used to screen this family. Then, a
V Balachandran et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 95, 354-368 (2012-05-01)
This study is a comparative analysis of FT-IR and FT-Raman spectra of vanillin (3-methoxy-4-hydroxybenzaldehyde) and isovanillin (3-hydroxy-4-methoxybenzaldehyde). The molecular structure, vibrational wavenumbers, infrared intensities, Raman scattering activities were calculated for both molecules using the B3LYP density functional theory (DFT) with
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