≥98%(CP),≥98 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
1,3-Propanediol-d6 is the deuterium labeled 1,3-Propanediol. 1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism.
| Canonical Smiles | C(CO)CO |
|---|---|
| IUPAC Name | 1,1,2,2,3,3-hexadeuteriopropane-1,3-diol |
| InChIKey | YPFDHNVEDLHUCE-NMFSSPJFSA-N |
| INCHI | 1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2/i1D2,2D2,3D2 |
| Isomeric SMILES | [2H]C([2H])(C([2H])([2H])O)C([2H])([2H])O |
| Alternate CAS | 504-63-2（unlabelled） |
| Molecular Weight | 82.13 |
| Reaxy-Rn | 969155 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969155&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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Alcohols and polyols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Primary alcohols |
| Alternative Parents | Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). |
| External Descriptors | Not available |
| Molecular Weight | 82.130 g/mol |
|---|---|
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 82.0901 Da |
| Monoisotopic Mass | 82.0901 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 12.400 |
| Isotope Atom Count | 6 |
| 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 |
H2520400