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Basic Description
| Synonyms | Vanillin acetate | 4-Formyl-2-methoxyphenyl acetate | 881-68-5 | Acetylvanillin | 4-Acetoxy-3-methoxybenzaldehyde | Acetovanillin | Vanillin, acetate | 4-O-Acetylvanillin | O-Acetylvanillin | BENZALDEHYDE, 4-(ACETYLOXY)-3-METHOXY- | 3-methoxy-4-acetoxybenzaldehyde | 4-Formyl-2 |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
- Class Phenol esters
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol esters |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Benzoyl derivatives Benzaldehydes Anisoles Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenol ester - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Carboxylic acid ester - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - 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 phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. |
| External Descriptors | acetate ester - monomethoxybenzene - benzaldehydes |
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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
| IUPAC Name | (4-formyl-2-methoxyphenyl) acetate |
|---|---|
| INCHI | InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3 |
| InChIKey | PZSJOBKRSVRODF-UHFFFAOYSA-N |
| Smiles | CC(=O)OC1=C(C=C(C=C1)C=O)OC |
| Isomeric SMILES | CC(=O)OC1=C(C=C(C=C1)C=O)OC |
| WGK Germany | 3 |
| PubChem CID | 61229 |
| Molecular Weight | 194.18 |
| Beilstein | 8(4)1771 |
| Reaxy-Rn | 1963795 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Air sensitive. |
|---|---|
| Melt Point(°C) | 77-79°C |
| Molecular Weight | 194.180 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 194.058 Da |
| Monoisotopic Mass | 194.058 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 214.000 |
| 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 |
Citations of This Product
| 1. Jingcheng Zhang, Zeping Liu, Lina Jia, Yu Zhang, Qinhui Xie, Wenyu Zhang, Yunuo Shi, Bo Jiang, Naiqing Zhang. (2025) Eliminating electron localization by molecular array induces uniform zinc deposition enabling stable zinc anode. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 686 (613). |
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