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94752

Sigma-Aldrich

Vanillin

tested according to Ph. Eur.

Synonym(s):

Vanillinum, 4-Hydroxy-3-methoxybenzaldehyde, Vanillic aldehyde

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About This Item

Linear Formula:
4-(HO)C6H3-3-(OCH3)CHO
CAS Number:
121-33-5
Molecular Weight:
152.15
Beilstein:
472792
EC Number:
204-465-2
MDL number:
MFCD00006942
UNSPSC Code:
41116107
PubChem Substance ID:
329770383
NACRES:
NA.21

Agency

USP/NF
tested according to Ph. Eur.

Quality Level

200

vapor density

5.3 (vs air)

vapor pressure

>0.01 mmHg ( 25 °C)

Assay

99.0-101.0% dry basis

form

powder or crystals

bp

170 °C/15 mmHg (lit.)

mp

81-83 °C (lit.)

solubility

water: slightly soluble 10 g/L at 25 °C

application(s)

hematology
histology
pharmaceutical (small molecule)

storage temp.

room temp

SMILES string

COc1cc(C=O)ccc1O

InChI

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

InChI key

MWOOGOJBHIARFG-UHFFFAOYSA-N

Gene Information

rat ... Ar(24208)

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H319

Hazard Classifications

Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

319.6 - 321.4 °F - closed cup

Flash Point(C)

159.8 - 160.8 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM0820
BCCL5001
BCCL1553
BCCJ3673
BCCH2819

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Chia-Lin Lee et al.
Journal of natural products, 72(9), 1568-1572 (2009-08-21)
Two new sesquiterpene coumarins, designated 5'-acetoxy-8'-hydroxyumbelliprenin (1) and 10'R-acetoxy-11'-hydroxyumbelliprenin (2), and a new diterpene, 15-hydroxy-6-en-dehydroabietic acid (3), along with 27 known compounds, were isolated from a CHCl(3)-soluble extract of Ferula assa-foetida through bioassay-guided fractionation. The structures of the new metabolites
Ana Rita Brochado et al.
Biotechnology and bioengineering, 110(2), 656-659 (2012-09-26)
Overproduction of a desired metabolite is often achieved via manipulation of the pathway directly leading to the product or through engineering of distant nodes within the metabolic network. Empirical examples illustrating the combined effect of these local and global strategies
H Priefert et al.
Applied microbiology and biotechnology, 56(3-4), 296-314 (2001-09-11)
Vanillin is one of the most important aromatic flavor compounds used in foods, beverages, perfumes, and pharmaceuticals and is produced on a scale of more than 10 thousand tons per year by the industry through chemical synthesis. Alternative biotechnology-based approaches
Shixin Deng et al.
Journal of natural products, 69(4), 536-541 (2006-04-29)
Serotonin receptor (5-HT(7)) binding assay-directed fractionation of a methanol extract of the dried roots of Angelica sinensis led to the isolation and identification of 21 compounds including a new phenolic ester, angeliferulate (1), and three new phthalides, 10-angeloylbutylphthalide (2), sinaspirolide
Tsung-Hsien Chou et al.
Journal of natural products, 73(9), 1470-1475 (2010-08-14)
Bioassay-guided fractionation led to the isolation of six new tetrahydroflavanones, cryptochinones A-F (1-6), from the neutral CHCl(3) fraction of Cryptocarya chinensis leaves, together with 14 known compounds (7-20). The structures of these new compounds were determined through spectroscopic analyses, including
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