Butylbenzene
TL;DR: Butylbenzene (CAS 104-51-8) is a chemical compound with molecular formula C10H14 and molecular weight 134.10954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butylbenzene
Also Known As: Butylbenzene, N-BUTYLBENZENE, 1-Phenylbutane, 1-Butylbenzene, Benzene, butyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14 |
| Molecular Weight | 134.10954 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.10954 Da |
| Heavy Atoms | 10 |
| Complexity | 70.0 |
| Melting Point | -87.9 °C |
| Boiling Point | 183.3 °C |
| Density | 0.8601 g/cu cm @ 20 °C |
| Flash Point | 160 °F (NFPA, 2010) |
| Vapor Pressure | 1.06 [mmHg] |
| Refractive Index | Index of refraction = 1.4898 @ 20 °C |
| Solubility | Miscible with alcohol, ether, benzene |
| SMILES | CCCCC1=CC=CC=C1 |
| InChIKey | OCKPCBLVNKHBMX-UHFFFAOYSA-N |
Product Description
Applications: Butylbenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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 organic building block supplied by CoreyChem, Butylbenzene (CAS 104-51-8) has the molecular formula C10H14 and a molecular weight of 134.11 g/mol. Reported properties include a density of 0.8601 g/cu cm @ 20 °C g/cm³, a solubility: Miscible with alcohol, ether, benzene. Synonyms include Butylbenzene and N-BUTYLBENZENE.
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 Butylbenzene
Property Insights of Butylbenzene
The XLogP value of 4.4 indicates that Butylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylbenzene 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 Butylbenzene?
The CAS number of Butylbenzene is 104-51-8.
What is the molecular formula of Butylbenzene?
The molecular formula of Butylbenzene is C10H14.
What is the molecular weight of Butylbenzene?
The molecular weight of Butylbenzene is 134.10954 g/mol.
What are the applications of Butylbenzene?
Butylbenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy Butylbenzene?
You can request a quote for Butylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butylbenzene?
Yes, CoreyChem provides custom synthesis services for Butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.