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Basic Description
| Synonyms | (2,2-dimethyl-1,3-dioxan-5-yl)methanol | 4728-12-5 | 2,2-Dimethyl-5-(hydroxymethyl)-1,3-dixoane | 2,2-DIMETHYL-5-HYDROXYMETHYL-1,3-DIOXANE | 1,3-Dioxane-5-methanol,2,2-dimethyl- | 5-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxane | 5-hydroxymethyl-2,2-dimethyl-1,3-dioxane | M |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
- Class Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Acetals |
| Direct Parent | Ketals |
| Alternative Parents | 1,3-dioxanes Oxacyclic compounds Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Ketal - Meta-dioxane - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488194462 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194462 |
| IUPAC Name | (2,2-dimethyl-1,3-dioxan-5-yl)methanol |
| INCHI | InChI=1S/C7H14O3/c1-7(2)9-4-6(3-8)5-10-7/h6,8H,3-5H2,1-2H3 |
| InChIKey | BTAUZIVCHJIXAX-UHFFFAOYSA-N |
| Smiles | CC1(OCC(CO1)CO)C |
| Isomeric SMILES | CC1(OCC(CO1)CO)C |
| Molecular Weight | 146.18 |
| Reaxy-Rn | 1236636 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236636&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2407021 |
Certificate of Analysis | Dec 11, 2024 | D193505 |
| J1914153 |
Certificate of Analysis | Jul 31, 2023 | D193505 |
| B2328566 |
Certificate of Analysis | Sep 08, 2022 | D193505 |
| B2328573 |
Certificate of Analysis | Sep 08, 2022 | D193505 |
| B2328564 |
Certificate of Analysis | Sep 08, 2022 | D193505 |
| L2411009 |
Certificate of Analysis | Sep 08, 2022 | D193505 |
| B2328567 |
Certificate of Analysis | Sep 08, 2022 | D193505 |
| B2328571 |
Certificate of Analysis | Sep 08, 2022 | D193505 |
| B2328569 |
Certificate of Analysis | Sep 08, 2022 | D193505 |
| B2328631 |
Certificate of Analysis | Sep 08, 2022 | D193505 |
| B2328568 |
Certificate of Analysis | Sep 08, 2022 | D193505 |
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Chemical and Physical Properties
| Molecular Weight | 146.180 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 146.094 Da |
| Monoisotopic Mass | 146.094 Da |
| Topological Polar Surface Area | 38.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
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