o-TOLYL ISOBUTYRATE
TL;DR: o-TOLYL ISOBUTYRATE (CAS 36438-54-7) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 2-methylpropanoate
Also Known As: o-Tolyl isobutyrate, o-cresyl isobutyrate, 2-Methylphenyl 2-methylpropanoate, Cresyl isobutyrate, o-, (2-methylphenyl) 2-methylpropanoate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
| Boiling Point | 107.00 to 108.00 °C. @ 8.00 mm Hg |
| Density | 1.000-1.007 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.482-1.488 |
Chemical Identifiers
| CAS Number | 36438-54-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C(C)C |
| InChIKey | FDJBDZVTTXWIQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-TOLYL ISOBUTYRATE (CAS 36438-54-7), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: (2-methylphenyl) 2-methylpropanoate.
Chemical Property Profile of o-TOLYL ISOBUTYRATE
Property Insights of o-TOLYL ISOBUTYRATE
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-TOLYL ISOBUTYRATE. With a topological polar surface area (TPSA) of 26.3 Ų, o-TOLYL ISOBUTYRATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-TOLYL ISOBUTYRATE has 0 hydrogen bond donor(s) and 2 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 o-TOLYL ISOBUTYRATE?
The CAS number of o-TOLYL ISOBUTYRATE is 36438-54-7.
What is the molecular formula of o-TOLYL ISOBUTYRATE?
The molecular formula of o-TOLYL ISOBUTYRATE is C11H14O2.
What is the molecular weight of o-TOLYL ISOBUTYRATE?
The molecular weight of o-TOLYL ISOBUTYRATE is 178.10 g/mol.
Where can I buy o-TOLYL ISOBUTYRATE?
You can request a quote for o-TOLYL ISOBUTYRATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-TOLYL ISOBUTYRATE?
Yes, KEHONG BIO provides custom synthesis services for o-TOLYL ISOBUTYRATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.