Decalin
TL;DR: Decalin (CAS 91-17-8) is a chemical compound with molecular formula C10H18 and molecular weight 138.14085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Also Known As: Decalin, DECAHYDRONAPHTHALENE, cis-Decahydronaphthalene, trans-Decahydronaphthalene, CIS-DECALIN
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18 |
| Molecular Weight | 138.14085 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.14085 Da |
| Heavy Atoms | 10 |
| Complexity | 80.0 |
| Melting Point | -44 °F (USCG, 1999) |
| Boiling Point | 383 °F at 760 mmHg (USCG, 1999) |
| Density | 0.89 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 134 °F (USCG, 1999) |
| Vapor Pressure | 2.3 [mmHg] |
| Solubility | Very sol in alcohol, methanol, ether, chloroform. Miscible with propyl and isopropyl alcohol; miscible with most ketones and esters. |
| SMILES | C1CCC2CCCCC2C1 |
| InChIKey | NNBZCPXTIHJBJL-UHFFFAOYSA-N |
Product Description
Applications: Decalin is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Decalin (CAS 91-17-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Decalin (CAS 91-17-8) is a polymer intermediate with the molecular formula C10H18 and a molecular weight of 138.14 g/mol. Key physical properties include a density of 0.89 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Very sol in alcohol, methanol, ether, chloroform. Miscible with propyl and isopropyl alcohol; miscible with most ketones and esters. It is also known as Decalin and DECAHYDRONAPHTHALENE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Decalin
Property Insights of Decalin
The XLogP value of 4.6 indicates that Decalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Decalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decalin 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
What is the CAS number of Decalin?
The CAS number of Decalin is 91-17-8.
What is the molecular formula of Decalin?
The molecular formula of Decalin is C10H18.
What is the molecular weight of Decalin?
The molecular weight of Decalin is 138.14085 g/mol.
What are the applications of Decalin?
Decalin is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Decalin (CAS 91-17-8) with custom synthesis...
Where can I buy Decalin?
You can request a quote for Decalin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Decalin?
Yes, CoreyChem provides custom synthesis services for Decalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.