Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester
TL;DR: Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester (CAS 81691-70-5) is a chemical compound with molecular formula C17H26O3 and molecular weight 278.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2-methylheptan-2-yl)phenoxy]acetate
Also Known As: Methyl 2-[4-(2-methylheptan-2-yl)phenoxy]acetate, methyl[4-(2-methylheptan-2-yl)phenoxy]acetate, Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester, Methyl [4-(2-methylheptan-2-yl)phenoxy]acetate, RefChem:316223
| Molecular Formula | C17H26O3 |
|---|---|
| Molecular Weight | 278.19 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 278.1882 |
| Heavy Atoms | 20 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 81691-70-5 |
|---|---|
| SMILES | CCCCCC(C)(C)C1=CC=C(C=C1)OCC(=O)OC |
| InChIKey | DURRCWNXUOYTKE-UHFFFAOYSA-N |
Product Overview
Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester (CAS 81691-70-5), with molecular formula C17H26O3 and molecular weight 278.19 g/mol. IUPAC: methyl 2-[4-(2-methylheptan-2-yl)phenoxy]acetate.
Chemical Property Profile of Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester
Property Insights of Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester
The XLogP value of 5.7 indicates that Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester has 0 hydrogen bond donor(s) and 3 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, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester?
The CAS number of Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester is 81691-70-5.
What is the molecular formula of Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester?
The molecular formula of Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester is C17H26O3.
What is the molecular weight of Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester?
The molecular weight of Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester is 278.19 g/mol.
Where can I buy Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester?
You can request a quote for Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, 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, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (4-(1,1-dimethylhexyl)phenoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.