≥96%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC1=CC=C(C=C1)COCCC(CO)O |
|---|---|
| IUPAC Name | (2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol |
| InChIKey | YRHIJTKHDXQBLC-LLVKDONJSA-N |
| INCHI | 1S/C12H18O4/c1-15-12-4-2-10(3-5-12)9-16-7-6-11(14)8-13/h2-5,11,13-14H,6-9H2,1H3/t11-/m1/s1 |
| Isomeric SMILES | COC1=CC=C(C=C1)COCC[C@H](CO)O |
| PubChem CID | 44629947 |
| Molecular Weight | 226.27 |
| Reaxy-Rn | 8112416 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylethers |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Secondary alcohols 1,2-diols Dialkyl ethers Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzylether - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - 1,2-diol - Secondary alcohol - Ether - Dialkyl ether - Organic oxygen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). |
| External Descriptors | Not available |
| Specific Rotation[α] | -8° (C=1,CHCl3) |
|---|---|
| Molecular Weight | 226.270 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 226.121 Da |
| Monoisotopic Mass | 226.121 Da |
| Topological Polar Surface Area | 58.900 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 166.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
