8-Methylnonyl phenylmethyl phthalate
TL;DR: 8-Methylnonyl phenylmethyl phthalate (CAS 85409-84-3) is a chemical compound with molecular formula C25H32O4 and molecular weight 396.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-benzyl 1-O-(8-methylnonyl) benzene-1,2-dicarboxylate
Also Known As: 8-Methylnonyl phenylmethyl phthalate, EINECS 287-156-5, Isodecyl alcohol, benzyl phthalate, 8-METHYLNONYL BENZYL PHTHALATE, Benzyl 8-methylnonyl benzene-1,2-dicarboxylate
| Molecular Formula | C25H32O4 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 6.197 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 396.23007 |
| Heavy Atoms | 29 |
| Complexity | 752.42847 |
Chemical Identifiers
| CAS Number | 85409-84-3 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2 |
Product Overview
8-Methylnonyl phenylmethyl phthalate (CAS 85409-84-3), with molecular formula C25H32O4 and molecular weight 396.23 g/mol. IUPAC: 2-O-benzyl 1-O-(8-methylnonyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 8-Methylnonyl phenylmethyl phthalate
Property Insights of 8-Methylnonyl phenylmethyl phthalate
The XLogP value of 6.197 indicates that 8-Methylnonyl phenylmethyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 8-Methylnonyl phenylmethyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methylnonyl phenylmethyl phthalate 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 8-Methylnonyl phenylmethyl phthalate?
The CAS number of 8-Methylnonyl phenylmethyl phthalate is 85409-84-3.
What is the molecular formula of 8-Methylnonyl phenylmethyl phthalate?
The molecular formula of 8-Methylnonyl phenylmethyl phthalate is C25H32O4.
What is the molecular weight of 8-Methylnonyl phenylmethyl phthalate?
The molecular weight of 8-Methylnonyl phenylmethyl phthalate is 396.23 g/mol.
Where can I buy 8-Methylnonyl phenylmethyl phthalate?
You can request a quote for 8-Methylnonyl phenylmethyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methylnonyl phenylmethyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for 8-Methylnonyl phenylmethyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.