Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester
TL;DR: Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester (CAS 138-23-8) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-7-enyl 2-methylpropanoate
Also Known As: Rhodinyl isobutyrate, Citronellyl isobutyrate, rhodinol isobutyrate, Rhodinyl 2-methylpropanoate, Rhodinyl isobutyrate, (+/-)-
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 138-23-8 |
|---|---|
| SMILES | CC(C)C(=O)OCCC(C)CCCC(=C)C |
| InChIKey | KHCGLDOOFYZQKU-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester (CAS 138-23-8), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: 3,7-dimethyloct-7-enyl 2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester
Property Insights of Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester
The XLogP value of 5.1 indicates that Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester 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 Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester?
The CAS number of Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester is 138-23-8.
What is the molecular formula of Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester?
The molecular formula of Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester is C14H26O2.
What is the molecular weight of Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester?
The molecular weight of Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester is 226.19 g/mol.
Where can I buy Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester?
You can request a quote for Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.