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59940

Sigma-Aldrich

Isovanillin

≥95.0%

Synonym(s):

3-Hydroxy-4-methoxybenzaldehyde, 3-Hydroxyanisaldehyde

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About This Item

Empirical Formula (Hill Notation):
C8H8O3
CAS Number:
Molecular Weight:
152.15
Beilstein:
1073021
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

>212.0 °F

Flash Point(C)

> 100 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
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
Georgios I Panoutsopoulos et al.
Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology, 15(1-4), 89-98 (2005-01-25)
The oxidation of xenobiotic-derived aromatic aldehydes with freshly prepared liver slices has not been previously reported. The present investigation compares the relative contribution of aldehyde oxidase, xanthine oxidase and aldehyde dehydrogenase activities in the oxidation of vanillin, isovanillin and protocatechuic

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