Dihydro-alpha-ionone
TL;DR: Dihydro-alpha-ionone (CAS 31499-72-6) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
Also Known As: Dihydro-alpha-ionone, alpha-Dihydroionone, Dihydro-.alpha.-ionone, .alpha.-Dihydroionone, 7,8-Dihydro-alpha-ionone
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
| Density | 0.919-0.927 |
| Solubility | 1 ml in 1 ml 80% alcohol (in ethanol) |
| Refractive Index | 1.476-1.482 |
Chemical Identifiers
| CAS Number | 31499-72-6 |
|---|---|
| SMILES | CC1=CCCC(C1CCC(=O)C)(C)C |
| InChIKey | JHJCHCSUEGPIGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihydro-alpha-ionone (CAS 31499-72-6), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one.
Chemical Property Profile of Dihydro-alpha-ionone
Property Insights of Dihydro-alpha-ionone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydro-alpha-ionone. With a topological polar surface area (TPSA) of 17.1 Ų, Dihydro-alpha-ionone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydro-alpha-ionone has 0 hydrogen bond donor(s) and 1 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 Dihydro-alpha-ionone?
The CAS number of Dihydro-alpha-ionone is 31499-72-6.
What is the molecular formula of Dihydro-alpha-ionone?
The molecular formula of Dihydro-alpha-ionone is C13H22O.
What is the molecular weight of Dihydro-alpha-ionone?
The molecular weight of Dihydro-alpha-ionone is 194.17 g/mol.
Where can I buy Dihydro-alpha-ionone?
You can request a quote for Dihydro-alpha-ionone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydro-alpha-ionone?
Yes, KEHONG BIO provides custom synthesis services for Dihydro-alpha-ionone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.