乙基香兰素
TL;DR: 乙基香兰素 (CAS 121-32-4) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙基香兰素
3-ethoxy-4-hydroxybenzaldehyde
Also Known As: Ethylvanillin, ETHYL VANILLIN, 3-Ethoxy-4-hydroxybenzaldehyde, Ethylprotal, Bourbonal
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| Melting Point | 171 to 77.8 °C |
| Boiling Point | 285 °C |
| Solubility | Slightly soluble (NTP, 1992) |
| Flash Point | 145 °C (145.0 °C) - closed cup |
| Vapor Pressure | 0.0000104 [mmHg] |
| GHS Signal | Warning |
| H-Statements | H319 |
Chemical Identifiers
| CAS Number | 121-32-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=O)O |
| InChIKey | CBOQJANXLMLOSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙基香兰素 (CAS 121-32-4), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 3-ethoxy-4-hydroxybenzaldehyde.
Chemical Property Profile of 乙基香兰素
Property Insights of 乙基香兰素
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙基香兰素. With a topological polar surface area (TPSA) of 46.5 Ų, 乙基香兰素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙基香兰素 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 乙基香兰素?
The CAS number of 乙基香兰素 is 121-32-4.
What is the molecular formula of 乙基香兰素?
The molecular formula of 乙基香兰素 is C9H10O3.
What is the molecular weight of 乙基香兰素?
The molecular weight of 乙基香兰素 is 166.06 g/mol.
Where can I buy 乙基香兰素?
You can request a quote for 乙基香兰素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙基香兰素?
Yes, KEHONG BIO provides custom synthesis services for 乙基香兰素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.