1,1-Dimethyl-2-phenylethyl butyrate
TL;DR: 1,1-Dimethyl-2-phenylethyl butyrate (CAS 10094-34-5) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1-phenylpropan-2-yl) butanoate
Also Known As: Dmbc butyrate, Dimethylbenzylcarbinyl butyrate, Benzyldimethylcarbinyl butyrate, Butanoic acid, 1,1-dimethyl-2-phenylethyl ester, Dimethyl benzyl carbinyl butyrate
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
| Boiling Point | 253.00 to 255.00 °C. @ 760.00 mm Hg |
| Density | 0.960-0.971 |
| Solubility | Soluble in mineral oil and most fixed oils; insoluble in water and propylene glycol |
| Refractive Index | 1.484-1.489 |
Chemical Identifiers
| CAS Number | 10094-34-5 |
|---|---|
| SMILES | CCCC(=O)OC(C)(C)CC1=CC=CC=C1 |
| InChIKey | SHSGYHAHMQLYRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethyl-2-phenylethyl butyrate (CAS 10094-34-5), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: (2-methyl-1-phenylpropan-2-yl) butanoate.
Chemical Property Profile of 1,1-Dimethyl-2-phenylethyl butyrate
Property Insights of 1,1-Dimethyl-2-phenylethyl butyrate
The XLogP value of 3.5 indicates that 1,1-Dimethyl-2-phenylethyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,1-Dimethyl-2-phenylethyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-2-phenylethyl butyrate 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 1,1-Dimethyl-2-phenylethyl butyrate?
The CAS number of 1,1-Dimethyl-2-phenylethyl butyrate is 10094-34-5.
What is the molecular formula of 1,1-Dimethyl-2-phenylethyl butyrate?
The molecular formula of 1,1-Dimethyl-2-phenylethyl butyrate is C14H20O2.
What is the molecular weight of 1,1-Dimethyl-2-phenylethyl butyrate?
The molecular weight of 1,1-Dimethyl-2-phenylethyl butyrate is 220.15 g/mol.
Where can I buy 1,1-Dimethyl-2-phenylethyl butyrate?
You can request a quote for 1,1-Dimethyl-2-phenylethyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-2-phenylethyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-2-phenylethyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.