Isoprene
TL;DR: Isoprene (CAS 78-79-5) is a chemical compound with molecular formula C5H8 and molecular weight 68.0626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbuta-1,3-diene
Also Known As: ISOPRENE, Isopentadiene, 2-Methyl-1,3-butadiene, 2-Methylbutadiene, 2-Methylbuta-1,3-diene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8 |
| Molecular Weight | 68.0626 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 68.0626 Da |
| Heavy Atoms | 5 |
| Complexity | 51.0 |
| Melting Point | -184 °F (NTP, 1992) |
| Boiling Point | 93 °F at 760 mmHg (NTP, 1992) |
| Density | 0.681 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | -65 °F (NTP, 1992) |
| Vapor Pressure | 400 mmHg at 59.7 °F ; 493 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.42160 at 20 °C/D |
| Solubility | less than 1 mg/mL at 70.7 °F (NTP, 1992) |
| SMILES | CC(=C)C=C |
| InChIKey | RRHGJUQNOFWUDK-UHFFFAOYSA-N |
Product Description
Applications: Isoprene is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A polymer intermediate supplied by CoreyChem, Isoprene (CAS 78-79-5) has the molecular formula C5H8 and a molecular weight of 68.06 g/mol. Reported properties include a density of 0.681 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 70.7 °F (NTP, 1992). Synonyms include ISOPRENE and Isopentadiene.
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 Isoprene
Property Insights of Isoprene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoprene. With a topological polar surface area (TPSA) of 0.0 Ų, Isoprene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoprene 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 Isoprene?
The CAS number of Isoprene is 78-79-5.
What is the molecular formula of Isoprene?
The molecular formula of Isoprene is C5H8.
What is the molecular weight of Isoprene?
The molecular weight of Isoprene is 68.0626 g/mol.
What are the applications of Isoprene?
Isoprene is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale),...
Where can I buy Isoprene?
You can request a quote for Isoprene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoprene?
Yes, CoreyChem provides custom synthesis services for Isoprene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.