butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane
TL;DR: butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane (CAS 103570-32-7) is a chemical compound with molecular formula C50H96N4O18 and molecular weight 1040.672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane
Also Known As: butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane, (C12-H18-N2-O2.C8-H12-N2-O2.C6-H14-O3.C6-H14-O2.C6-H10-O4.C5-H12-O2.C4-H10-O2.C3-H6-O)x-, butane-1,4-diol; 1,6-diisocyanatohexane; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 2-methyloxirane, Hexanedioic acid, polymer with 1,4-butanediol, 1,6-diisocyanatohexane, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol, 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane and methyloxirane, Hexanedioic acid, polymer with 1,4-butanediol, 1,6-diisocyanatohexane, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and 2-methyloxirane
Technical Specifications
| Molecular Formula | C50H96N4O18 |
| Molecular Weight | 1040.672 g/mol |
| XLogP | 4.222 |
| Topological Polar Surface Area (TPSA) | 387.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 29 |
| Exact Mass | 1040.672 Da |
| Heavy Atoms | 72 |
| Complexity | 815.0 |
| SMILES | CCC(CO)(CO)CO.CC1CO1.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(C)(CO)CO.C(CCCN=C=O)CCN=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CCO)CO |
| InChIKey | IKMMLIXQTQQPDP-UHFFFAOYSA-N |
Product Description
Applications: AC1L41TK is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
AC1L41TK is a fine chemical identified by CAS number 103570-32-7 and the molecular formula C50H96N4O18 and a molecular weight of 1040.67 g/mol. Synonyms include butane-1,4-diol and 1,6-diisocyanatohexane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane
Property Insights of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane
The XLogP value of 4.222 indicates that butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 387.0 Ų indicates high polarity, suggesting butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane has 11 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane?
The CAS number of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane is 103570-32-7.
What is the molecular formula of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane?
The molecular formula of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane is C50H96N4O18.
What is the molecular weight of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane?
The molecular weight of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane is 1040.672 g/mol.
What are the applications of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane?
AC1L41TK is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane?
You can request a quote for butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane?
Yes, CoreyChem provides custom synthesis services for butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.