59940
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
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Quality Level
Assay
≥95.0%
mp
112-116 °C
functional group
aldehyde
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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Related Categories
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
Regulatory Information
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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
Jiyoung Ryu et al.
Archives of pharmacal research, 27(9), 912-914 (2004-10-12)
Seven compounds were isolated from the stem of Acanthopanax senticosus by repeated column chromatography. Their structures were elucidated as isovanillin (1), (-)-sesamin (2), isofraxidin (3), (+)-syringaresinol (4), 5-hydroxymethylfurfural (5), eleutheroside B (6), and eleutheroside E (7) by spectral analysis. Among
Michael D Markey et al.
Organic letters, 9(17), 3255-3257 (2007-07-31)
The first total synthesis of santiagonamine (1) is achieved in 12 steps from isovanillin. A palladium-catalyzed Ullmann cross-coupling reaction and a photocyclization are the key steps in the synthesis.
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
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