2-Methyl-4-phenyl-2-butyl acetate
TL;DR: 2-Methyl-4-phenyl-2-butyl acetate (CAS 103-07-1) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methyl-4-phenylbutan-2-yl) acetate
Also Known As: Dmpec acetate, narcissus acetate, Centifolia, 1,1-Dimethyl-3-phenylpropyl acetate, Dimethylphenylethylcarbinyl acetate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.13068 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.13068 Da |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
| Boiling Point | 243.00 to 244.00 °C. @ 760.00 mm Hg |
| Density | 0.986-0.990 (15°) |
| Refractive Index | 1.488-1.490 |
| Solubility | Soluble in oils; Insoluble in water |
| SMILES | CC(=O)OC(C)(C)CCC1=CC=CC=C1 |
| InChIKey | ZXFNOEJFYLQUSB-UHFFFAOYSA-N |
Product Description
Applications: 2-Methyl-4-phenyl-2-butyl acetate is used in surfactant and detergent formulations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methyl-4-phenyl-2-butyl acetate (CAS 103-07-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Methyl-4-phenyl-2-butyl acetate (CAS 103-07-1) is a surfactant raw material with the molecular formula C13H18O2 and a molecular weight of 206.13 g/mol. Key physical properties include a density of 0.986-0.990 (15°) g/cm³, a solubility: Soluble in oils; Insoluble in water. It is also known as Dmpec acetate and narcissus acetate.
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 2-Methyl-4-phenyl-2-butyl acetate
Property Insights of 2-Methyl-4-phenyl-2-butyl acetate
The XLogP value of 3.0 indicates that 2-Methyl-4-phenyl-2-butyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methyl-4-phenyl-2-butyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-phenyl-2-butyl 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
What is the CAS number of 2-Methyl-4-phenyl-2-butyl acetate?
The CAS number of 2-Methyl-4-phenyl-2-butyl acetate is 103-07-1.
What is the molecular formula of 2-Methyl-4-phenyl-2-butyl acetate?
The molecular formula of 2-Methyl-4-phenyl-2-butyl acetate is C13H18O2.
What is the molecular weight of 2-Methyl-4-phenyl-2-butyl acetate?
The molecular weight of 2-Methyl-4-phenyl-2-butyl acetate is 206.13068 g/mol.
What are the applications of 2-Methyl-4-phenyl-2-butyl acetate?
2-Methyl-4-phenyl-2-butyl acetate is used in surfactant and detergent formulations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methyl-4-phenyl-2-butyl acetate...
Where can I buy 2-Methyl-4-phenyl-2-butyl acetate?
You can request a quote for 2-Methyl-4-phenyl-2-butyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-4-phenyl-2-butyl acetate?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-4-phenyl-2-butyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.