香草醛
TL;DR: 香草醛 (CAS 121-33-5) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
香草醛
4-hydroxy-3-methoxybenzaldehyde
Also Known As: vanillin, 4-Hydroxy-3-methoxybenzaldehyde, Vanillaldehyde, Vanillic aldehyde, p-Vanillin
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 135.0 |
| Melting Point | 178 to 82.8 °C |
| Boiling Point | 285.0 °C at 760 mmHg |
| Density | 1.056 at 20.0 °C |
| Solubility | Slightly soluble (NTP, 1992) |
| Flash Point | 153 °C (152.8 °C) - closed cup |
| Vapor Pressure | 1 mmHg at 107.2 °C |
| GHS Signal | Warning |
| H-Statements | H319, H4747 |
Chemical Identifiers
| CAS Number | 121-33-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=O)O |
| InChIKey | MWOOGOJBHIARFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
香草醛 (CAS 121-33-5), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 4-hydroxy-3-methoxybenzaldehyde.
Chemical Property Profile of 香草醛
Property Insights of 香草醛
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 香草醛. With a topological polar surface area (TPSA) of 46.5 Ų, 香草醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 香草醛 has 1 hydrogen bond donor(s) and 3 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 香草醛?
The CAS number of 香草醛 is 121-33-5.
What is the molecular formula of 香草醛?
The molecular formula of 香草醛 is C8H8O3.
What is the molecular weight of 香草醛?
The molecular weight of 香草醛 is 152.05 g/mol.
Where can I buy 香草醛?
You can request a quote for 香草醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香草醛?
Yes, KEHONG BIO provides custom synthesis services for 香草醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.