2-Ethylhexyl 4-methylbenzoate
TL;DR: 2-Ethylhexyl 4-methylbenzoate (CAS 16397-65-2) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 4-methylbenzoate
Also Known As: 2-Ethylhexyl 4-methylbenzoate, 2-Ethylhexyl 4-methylbenzoate #, p-toluic acid 2-ethylhexyl ester, p-Toluic acid, 2-ethylhexyl ester, Benzoic acid, 4-methyl-, 2-ethylhexyl ester
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 16397-65-2 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=C(C=C1)C |
| InChIKey | TWNIZMMQPHBJLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexyl 4-methylbenzoate (CAS 16397-65-2), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: 2-ethylhexyl 4-methylbenzoate.
Chemical Property Profile of 2-Ethylhexyl 4-methylbenzoate
Property Insights of 2-Ethylhexyl 4-methylbenzoate
The XLogP value of 5.3 indicates that 2-Ethylhexyl 4-methylbenzoate 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-Ethylhexyl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl 4-methylbenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Ethylhexyl 4-methylbenzoate?
The CAS number of 2-Ethylhexyl 4-methylbenzoate is 16397-65-2.
What is the molecular formula of 2-Ethylhexyl 4-methylbenzoate?
The molecular formula of 2-Ethylhexyl 4-methylbenzoate is C16H24O2.
What is the molecular weight of 2-Ethylhexyl 4-methylbenzoate?
The molecular weight of 2-Ethylhexyl 4-methylbenzoate is 248.18 g/mol.
Where can I buy 2-Ethylhexyl 4-methylbenzoate?
You can request a quote for 2-Ethylhexyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.