2-Ethylhexyl crotonate
TL;DR: 2-Ethylhexyl crotonate (CAS 7299-92-5) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl (E)-but-2-enoate
Also Known As: 2-Ethylhexyl crotonate, 2-ethylhexylcrotonate, 2-ethylhexyl but-2-enoate, EINECS 256-194-4, 2-ethylhexyl (E)-but-2-enoate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.3221 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 173.16054 |
Chemical Identifiers
| CAS Number | 7299-92-5 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)/C=C/C |
Product Overview
2-Ethylhexyl crotonate (CAS 7299-92-5), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 2-ethylhexyl (E)-but-2-enoate.
Chemical Property Profile of 2-Ethylhexyl crotonate
Property Insights of 2-Ethylhexyl crotonate
The XLogP value of 3.3221 indicates that 2-Ethylhexyl crotonate 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 crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl crotonate 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 2-Ethylhexyl crotonate?
The CAS number of 2-Ethylhexyl crotonate is 7299-92-5.
What is the molecular formula of 2-Ethylhexyl crotonate?
The molecular formula of 2-Ethylhexyl crotonate is C12H22O2.
What is the molecular weight of 2-Ethylhexyl crotonate?
The molecular weight of 2-Ethylhexyl crotonate is 198.16 g/mol.
Where can I buy 2-Ethylhexyl crotonate?
You can request a quote for 2-Ethylhexyl crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl crotonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.