Vanillin acetate
TL;DR: Vanillin acetate (CAS 881-68-5) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formyl-2-methoxyphenyl) acetate
Also Known As: Vanillin acetate, 4-Formyl-2-methoxyphenyl acetate, Acetylvanillin, Acetovanillin, O-Acetylvanillin
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| Melting Point | 77 - 79 °C |
| Boiling Point | 287.00 to 288.00 °C. @ 760.00 mm Hg |
| Solubility | slightly |
Chemical Identifiers
| CAS Number | 881-68-5 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C=O)OC |
| InChIKey | PZSJOBKRSVRODF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vanillin acetate (CAS 881-68-5), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: (4-formyl-2-methoxyphenyl) acetate.
Chemical Property Profile of Vanillin acetate
Property Insights of Vanillin acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanillin acetate. With a topological polar surface area (TPSA) of 52.6 Ų, Vanillin acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vanillin acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vanillin acetate?
The CAS number of Vanillin acetate is 881-68-5.
What is the molecular formula of Vanillin acetate?
The molecular formula of Vanillin acetate is C10H10O4.
What is the molecular weight of Vanillin acetate?
The molecular weight of Vanillin acetate is 194.06 g/mol.
Where can I buy Vanillin acetate?
You can request a quote for Vanillin acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vanillin acetate?
Yes, KEHONG BIO provides custom synthesis services for Vanillin acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.