Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester
TL;DR: Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester (CAS 81686-40-0) is a chemical compound with molecular formula C19H30O4 and molecular weight 322.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]acetate
Also Known As: Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester, methyl 2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]acetate, Methyl {2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy}acetate, RefChem:316139
| Molecular Formula | C19H30O4 |
|---|---|
| Molecular Weight | 322.21 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 322.21442 |
| Heavy Atoms | 23 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 81686-40-0 |
|---|---|
| SMILES | CCCCCC(C)(C)C1=CC=C(C=C1)OCCOCC(=O)OC |
| InChIKey | UKSYGIPORYABBI-UHFFFAOYSA-N |
Product Overview
Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester (CAS 81686-40-0), with molecular formula C19H30O4 and molecular weight 322.21 g/mol. IUPAC: methyl 2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]acetate.
Chemical Property Profile of Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester
Property Insights of Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester
The XLogP value of 5.5 indicates that Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester?
The CAS number of Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester is 81686-40-0.
What is the molecular formula of Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester?
The molecular formula of Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester is C19H30O4.
What is the molecular weight of Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester?
The molecular weight of Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester is 322.21 g/mol.
Where can I buy Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester?
You can request a quote for Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (2-(4-(1,1-dimethylhexyl)phenoxy)ethoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.