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Isovanillin - 98%, high purity , CAS No.621-59-0

13 Citations

COA

Grade & Purity:

≥98%

Cas Number: 621-59-0
Molecular Weight: 152.15
Beilstein Registry Number: 1073021
EC Number: 210-694-9
MDL number: MFCD00003369
PubChem CID: 12127
PubChem SID: 488181556

In stock

Item Number

I113433

Grouped product items
SKU	Size	Availability	Price
I113433-5g	5g	10	$13.90
I113433-25g	25g	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$50.90
I113433-100g	100g	3	$181.90
I113433-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$815.90

View related series

aldehyde (388) Non heterocyclic block (8163)

Basic Description

Synonyms	BRN 1073021 \| CCG-266226 \| Isovanilline \| Benzaldehyde, 3-hydroxy-4-methoxy- \| m-hydroxy-p-methoxybenzaldehyde \| Z104478184 \| HMS2194I16 \| Isovanicaline \| Oxy-3 methoxy-4 benzaldehyde \| isovaniline \| NCGC00247609-01 \| UNII-4A9N90H9X6 \| DTXCID6029383 \| F19
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	3-Hydroxy-4-methoxybenzaldehyde on condensation with furan-2-carboxylic acid hydrazide and thiophene-2-carboxylic acid hydrazide yields Schiff-bases. It undergoes condensation reaction with1-azabicyclo[2.2.2]octan-3-one to give (Z)-2-(3-hydroxy-4-methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Methoxyphenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Methoxyphenols
Intermediate Tree Nodes	Not available
Direct Parent	Methoxyphenols
Alternative Parents	Hydroxybenzaldehydes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Methoxyphenol - Hydroxybenzaldehyde - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Ether - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
External Descriptors	an aryl aldehyde
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TYR Tclin Tyrosinase (717 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

COMT Tclin Catechol O-methyltransferase (404 Activities)

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XDH Tclin Xanthine dehydrogenase (1038 Activities)

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MPO Tchem Myeloperoxidase (1002 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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AOX1 Tchem Aldehyde oxidase (429 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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Associated Targets(non-human)

Artemia salina (1320 Activities)

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Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488181556
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181556
IUPAC Name	3-hydroxy-4-methoxybenzaldehyde
INCHI	InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
InChIKey	JVTZFYYHCGSXJV-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)C=O)O
Isomeric SMILES	COC1=C(C=C(C=C1)C=O)O
WGK Germany	3
RTECS	CU6540000
Molecular Weight	152.15
Beilstein	1073021
Reaxy-Rn	1073021
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1073021&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot Number	Certificate Type	Date	Item
H2309562	Certificate of Analysis	May 12, 2025	I113433
D23142315	Certificate of Analysis	Jan 09, 2025	I113433
H2205217	Certificate of Analysis	May 20, 2024	I113433
H2205215	Certificate of Analysis	May 20, 2024	I113433
H2205214	Certificate of Analysis	May 20, 2024	I113433
D1810170	Certificate of Analysis	Aug 07, 2023	I113433
D1810171	Certificate of Analysis	Aug 04, 2023	I113433
H2110193	Certificate of Analysis	May 10, 2023	I113433
H2110194	Certificate of Analysis	May 10, 2023	I113433
H2110195	Certificate of Analysis	May 10, 2023	I113433
A2104128	Certificate of Analysis	Oct 19, 2022	I113433
A2104127	Certificate of Analysis	Oct 19, 2022	I113433

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Chemical and Physical Properties

Solubility	Soluble in Acetone and Methanol
Sensitivity	Light sensitive; Air sensitive
Boil Point(°C)	179°C
Melt Point(°C)	112-116°C
Molecular Weight	152.150 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	152.047 Da
Monoisotopic Mass	152.047 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	135.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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