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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-694-9
Beilstein/REAXYS Number:
1073021
MDL number:
Assay:
≥95.0%
InChI key
JVTZFYYHCGSXJV-UHFFFAOYSA-N
InChI
1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
SMILES string
COc1ccc(C=O)cc1O
assay
≥95.0%
mp
112-116 °C
functional group
aldehyde
Quality Level
Related Categories
Analysis Note
appearance: white/colorless to brown
Storage Class
11 - Combustible Solids
wgk
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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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
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.
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
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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