beta-Ocimene
TL;DR: beta-Ocimene (CAS 13877-91-3) is a chemical compound with molecular formula C10H16 and molecular weight 136.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-1,3,6-triene
Also Known As: beta-Ocimene, OCIMENE, Ocimene, beta-, (E)-beta-ocimene, 3,7-Dimethylocta-1,3,6-triene
| Molecular Formula | C10H16 |
|---|---|
| Molecular Weight | 136.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.1252 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
| Density | 0.801-0.805 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.478-1.491 |
Chemical Identifiers
| CAS Number | 13877-91-3 |
|---|---|
| SMILES | CC(=CCC=C(C)C=C)C |
| InChIKey | IHPKGUQCSIINRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Ocimene (CAS 13877-91-3), with molecular formula C10H16 and molecular weight 136.13 g/mol. IUPAC: 3,7-dimethylocta-1,3,6-triene.
Chemical Property Profile of beta-Ocimene
Property Insights of beta-Ocimene
The XLogP value of 4.3 indicates that beta-Ocimene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, beta-Ocimene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Ocimene has 0 hydrogen bond donor(s) and 0 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 beta-Ocimene?
The CAS number of beta-Ocimene is 13877-91-3.
What is the molecular formula of beta-Ocimene?
The molecular formula of beta-Ocimene is C10H16.
What is the molecular weight of beta-Ocimene?
The molecular weight of beta-Ocimene is 136.13 g/mol.
Where can I buy beta-Ocimene?
You can request a quote for beta-Ocimene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Ocimene?
Yes, KEHONG BIO provides custom synthesis services for beta-Ocimene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.