Dimethyl benzyl carbinyl acetate
TL;DR: Dimethyl benzyl carbinyl acetate (CAS 151-05-3) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1-phenylpropan-2-yl) acetate
Also Known As: Dimethylbenzylcarbinyl acetate, Dmbca, Benzylpropyl acetate, 2-methyl-1-phenylpropan-2-yl acetate, Dimethyl benzyl carbinyl acetate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
| Melting Point | 30 °C |
| Density | 0.995-1.002 |
| Solubility | Soluble in mineral oil, most fixed oils and propylene glycol; insoluble in water |
| Refractive Index | 1.490-1.495 |
Chemical Identifiers
| CAS Number | 151-05-3 |
|---|---|
| SMILES | CC(=O)OC(C)(C)CC1=CC=CC=C1 |
| InChIKey | FLUWAIIVLCVEKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl benzyl carbinyl acetate (CAS 151-05-3), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (2-methyl-1-phenylpropan-2-yl) acetate.
Chemical Property Profile of Dimethyl benzyl carbinyl acetate
Property Insights of Dimethyl benzyl carbinyl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl benzyl carbinyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Dimethyl benzyl carbinyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl benzyl carbinyl acetate 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 Dimethyl benzyl carbinyl acetate?
The CAS number of Dimethyl benzyl carbinyl acetate is 151-05-3.
What is the molecular formula of Dimethyl benzyl carbinyl acetate?
The molecular formula of Dimethyl benzyl carbinyl acetate is C12H16O2.
What is the molecular weight of Dimethyl benzyl carbinyl acetate?
The molecular weight of Dimethyl benzyl carbinyl acetate is 192.12 g/mol.
Where can I buy Dimethyl benzyl carbinyl acetate?
You can request a quote for Dimethyl benzyl carbinyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl benzyl carbinyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl benzyl carbinyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.