1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester (CAS 27215-22-1) is a chemical compound with molecular formula C23H28O4 and molecular weight 368.19876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-(6-methylheptyl) 2-O-(4-methylphenyl) benzene-1,2-dicarboxylate
Also Known As: Benzyl isooctyl phthalate, Isooctyl benzyl phthalate, Benzyl 2-Ethylhexyl Phthalate, (cis-4-Aminocyclohexyl)methanol, Benzyl 2-ethylhexyl phthalate(Technical)
Technical Specifications
| Molecular Formula | C23H28O4 |
| Molecular Weight | 368.19876 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 368.19876 Da |
| Heavy Atoms | 27 |
| Complexity | 451.0 |
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)OCCCCCC(C)C |
| InChIKey | OJTKBTGQAKWTED-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester
The XLogP value of 6.7 indicates that 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester is 27215-22-1.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester is C23H28O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester is 368.19876 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester?
Yes, CoreyChem provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.