Determine the necessary mass, volume, or concentration for preparing a solution.
mixture of isomers for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1C(O1)COC2=CC=C(C=C2)CC3=CC=C(C=C3)OCC4CO4 |
|---|---|
| IUPAC Name | 2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane |
| InChIKey | XUCHXOAWJMEFLF-UHFFFAOYSA-N |
| INCHI | 1S/C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h1-8,18-19H,9-13H2 |
| Isomeric SMILES | C1C(O1)COC2=CC=C(C=C2)CC3=CC=C(C=C3)OCC4CO4 |
| UN Number | 3077 |
| Molecular Weight | 312.36 |
| Beilstein | 5349017 |
| Reaxy-Rn | 5349017 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5349017&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Phenoxy compounds Phenol ethers Alkyl aryl ethers Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylmethane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
| Flash Point(°F) | Not applicable |
|---|---|
| Flash Point(°C) | Not applicable |
| Melt Point(°C) | 43-48℃ (lit.) |
| Molecular Weight | 312.400 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 312.136 Da |
| Monoisotopic Mass | 312.136 Da |
| Topological Polar Surface Area | 43.500 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 324.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Cheng Yan, Xiaming Feng, Patrick Mensah, Guoqiang Li. (2025) Forecast of Glass Transition Zone of Thermoset Polymers Using a Multiscale Machine Learning Approach. JOURNAL OF PHYSICAL CHEMISTRY B, [PMID:39995156] [10.1021/acs.jpcb.4c07666] |
| 2. Yue Xiang, Zhicong Miao, Zhixiong Wu, Tao Wang, Yuqiang Zhao, Yemao Han, Chuanjun Huang, Rongjin Huang, Laifeng Li. (2026) Constructing 3D boron nitride nanoribbons and nanosheets networks for enhanced cryogenic thermal management in epoxy composites. CRYOGENICS, [PMID:] [10.1016/j.cryogenics.2026.104289] |