| Pubchem Sid | 504755826 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755826 |
| Canonical Smiles | C(CC(CO)O)CO |
| IUPAC Name | pentane-1,2,5-triol |
| InChIKey | WEAYWASEBDOLRG-UHFFFAOYSA-N |
| INCHI | 1S/C5H12O3/c6-3-1-2-5(8)4-7/h5-8H,1-4H2 |
| Isomeric SMILES | C(CC(CO)O)CO |
| RTECS | SA3327000 |
| PubChem CID | 85763 |
| Molecular Weight | 120.15 |
| Beilstein | 1(4)2779 |
| Reaxy-Rn | 1719516 |
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 | Secondary alcohols |
| Alternative Parents | Polyols Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary alcohol - Polyol - Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2615289 | Certificate of Analysis | Jun 05, 2026 | P160114 |
| F2615291 | Certificate of Analysis | Jun 05, 2026 | P160114 |
| C2603593 | Certificate of Analysis | Jan 31, 2026 | P160114 |
| C2603598 | Certificate of Analysis | Jan 31, 2026 | P160114 |
| I2313121 | Certificate of Analysis | Sep 05, 2023 | P160114 |
| I2313122 | Certificate of Analysis | Sep 05, 2023 | P160114 |
| I2313123 | Certificate of Analysis | Sep 05, 2023 | P160114 |
| I2313124 | Certificate of Analysis | Sep 05, 2023 | P160114 |
| Refractive Index | 1.48 |
|---|---|
| Boil Point(°C) | 195°C/15mmHg(lit.) |
| Molecular Weight | 120.150 g/mol |
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 120.079 Da |
| Monoisotopic Mass | 120.079 Da |
| Topological Polar Surface Area | 60.700 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 46.900 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Huiyong Wang, Shuyan Liu, Yuling Zhao, Jianji Wang, Zhiwu Yu. (2019) Insights into the Hydrogen Bond Interactions in Deep Eutectic Solvents Composed of Choline Chloride and Polyols. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.8b06676] |
