Sec-Butylbenzene
TL;DR: Sec-Butylbenzene (CAS 135-98-8) 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.
butan-2-ylbenzene
Also Known As: SEC-BUTYLBENZENE, 2-Phenylbutane, 1-sec-butylbenzene, Secondary butylbenzene, (1-Methylpropyl)benzene
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14 |
| Molecular Weight | 134.10954 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.10954 Da |
| Heavy Atoms | 10 |
| Complexity | 80.0 |
| Melting Point | -82.7 °C |
| Boiling Point | 173.5 °C |
| Density | 0.8580 g/cu cm @ 25 °C |
| Flash Point | 126 °F (52 °C) closed cup |
| Vapor Pressure | 1.75 [mmHg] |
| Refractive Index | Index of refraction = 1.48980 @ 20 °C |
| Solubility | In water, 17.6 mg/L @ 25 °C |
| SMILES | CCC(C)C1=CC=CC=C1 |
| InChIKey | ZJMWRROPUADPEA-UHFFFAOYSA-N |
Product Description
Applications: Sec-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, Sec-Butylbenzene (CAS 135-98-8) has the molecular formula C10H14 and a molecular weight of 134.11 g/mol. Reported properties include a density of 0.8580 g/cu cm @ 25 °C g/cm³, a solubility: In water, 17.6 mg/L @ 25 °C. Synonyms include SEC-BUTYLBENZENE and 2-Phenylbutane.
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 Sec-Butylbenzene
Property Insights of Sec-Butylbenzene
The XLogP value of 4.2 indicates that Sec-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, Sec-Butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sec-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 Sec-Butylbenzene?
The CAS number of Sec-Butylbenzene is 135-98-8.
What is the molecular formula of Sec-Butylbenzene?
The molecular formula of Sec-Butylbenzene is C10H14.
What is the molecular weight of Sec-Butylbenzene?
The molecular weight of Sec-Butylbenzene is 134.10954 g/mol.
What are the applications of Sec-Butylbenzene?
Sec-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 Sec-Butylbenzene?
You can request a quote for Sec-Butylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sec-Butylbenzene?
Yes, CoreyChem provides custom synthesis services for Sec-Butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.