α-松油烯
TL;DR: α-松油烯 (CAS 99-86-5) 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.
α-松油烯
1-methyl-4-propan-2-ylcyclohexa-1,3-diene
Also Known As: ALPHA-TERPINENE, Terpilene, p-Mentha-1,3-diene, alpha-Terpinen, A-terpinene
| Molecular Formula | C10H16 |
|---|---|
| Molecular Weight | 136.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.1252 |
| Heavy Atoms | 10 |
| Complexity | 170.0 |
| Melting Point | < 25 °C |
| Boiling Point | 173.00 to 175.00 °C. @ 760.00 mm Hg |
| Density | 0.833-0.838 |
| Solubility | Insoluble in water; soluble in most fixed oils |
| Refractive Index | 1.475-1.480 |
Chemical Identifiers
| CAS Number | 99-86-5 |
|---|---|
| SMILES | CC1=CC=C(CC1)C(C)C |
| InChIKey | YHQGMYUVUMAZJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-松油烯 (CAS 99-86-5), with molecular formula C10H16 and molecular weight 136.13 g/mol. IUPAC: 1-methyl-4-propan-2-ylcyclohexa-1,3-diene.
Chemical Property Profile of α-松油烯
Property Insights of α-松油烯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-松油烯. With a topological polar surface area (TPSA) of 0.0 Ų, α-松油烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-松油烯 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 α-松油烯?
The CAS number of α-松油烯 is 99-86-5.
What is the molecular formula of α-松油烯?
The molecular formula of α-松油烯 is C10H16.
What is the molecular weight of α-松油烯?
The molecular weight of α-松油烯 is 136.13 g/mol.
Where can I buy α-松油烯?
You can request a quote for α-松油烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-松油烯?
Yes, KEHONG BIO provides custom synthesis services for α-松油烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.