2-XYLYLETHANOL
TL;DR: 2-XYLYLETHANOL (CAS 27577-96-4) is a chemical compound with molecular formula C30H42O3 and molecular weight 450.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dimethylphenyl)ethanol;2-(2,6-dimethylphenyl)ethanol;2-(3,4-dimethylphenyl)ethanol
Also Known As: 2-XYLYLETHANOL, 2-(2,3-dimethylphenyl)ethanol; 2-(2,6-dimethylphenyl)ethanol; 2-(3,4-dimethylphenyl)ethanol
| Molecular Formula | C30H42O3 |
|---|---|
| Molecular Weight | 450.31 g/mol |
| LogP | 5.51 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.3134 |
| Heavy Atoms | 33 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 27577-96-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)CCO)C.CC1=C(C(=CC=C1)C)CCO.CC1=C(C=C(C=C1)CCO)C |
| InChIKey | AKAZHXWUWUHLDA-UHFFFAOYSA-N |
Product Overview
2-XYLYLETHANOL (CAS 27577-96-4), with molecular formula C30H42O3 and molecular weight 450.31 g/mol. IUPAC: 2-(2,3-dimethylphenyl)ethanol;2-(2,6-dimethylphenyl)ethanol;2-(3,4-dimethylphenyl)ethanol.
Chemical Property Profile of 2-XYLYLETHANOL
Property Insights of 2-XYLYLETHANOL
The XLogP value of 5.51 indicates that 2-XYLYLETHANOL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-XYLYLETHANOL. Following Lipinski's Rule of Five, 2-XYLYLETHANOL has 3 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 2-XYLYLETHANOL?
The CAS number of 2-XYLYLETHANOL is 27577-96-4.
What is the molecular formula of 2-XYLYLETHANOL?
The molecular formula of 2-XYLYLETHANOL is C30H42O3.
What is the molecular weight of 2-XYLYLETHANOL?
The molecular weight of 2-XYLYLETHANOL is 450.31 g/mol.
Where can I buy 2-XYLYLETHANOL?
You can request a quote for 2-XYLYLETHANOL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-XYLYLETHANOL?
Yes, KEHONG BIO provides custom synthesis services for 2-XYLYLETHANOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.