≥98% 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.
| Pubchem Sid | 488196247 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196247 |
| Canonical Smiles | CC1(OC2C3C(C(C(=O)O3)O)OC2O1)C |
| IUPAC Name | (1S,2R,6R,8R,9S)-9-hydroxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one |
| InChIKey | BDBGJSXZKMTMGP-UXTLFEIASA-N |
| INCHI | 1S/C9H12O6/c1-9(2)14-6-5-4(13-8(6)15-9)3(10)7(11)12-5/h3-6,8,10H,1-2H3/t3-,4+,5-,6+,8+/m0/s1 |
| Isomeric SMILES | CC1(O[C@@H]2[C@@H]3[C@@H]([C@@H](C(=O)O3)O)O[C@@H]2O1)C |
| Molecular Weight | 216.19 |
| Beilstein | 19(3/4)5942 |
| Reaxy-Rn | 1684748 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1684748&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 | Organoheterocyclic compounds |
| Class | Furofurans |
| Subclass | Isosorbides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isosorbides |
| Alternative Parents | Ketals Monosaccharides Gamma butyrolactones Oxolanes 1,3-dioxolanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Isosorbide - Ketal - Gamma butyrolactone - Monosaccharide - Meta-dioxolane - Oxolane - Carboxylic acid ester - Secondary alcohol - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings. |
| 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 |
|---|---|---|---|
 E2326479 | Certificate of Analysis | Feb 07, 2025 | G107887 |
| E2326488 | Certificate of Analysis | Feb 07, 2025 | G107887 |
| E2326489 | Certificate of Analysis | Feb 07, 2025 | G107887 |
| E2326492 | Certificate of Analysis | Feb 07, 2025 | G107887 |
| E2326539 | Certificate of Analysis | Feb 07, 2025 | G107887 |
| E2326558 | Certificate of Analysis | Feb 07, 2025 | G107887 |
| E2326870 | Certificate of Analysis | Feb 07, 2025 | G107887 |
| I1916040 | Certificate of Analysis | Jan 20, 2025 | G107887 |
| Melt Point(°C) | 121°C |
|---|---|
| Molecular Weight | 216.190 g/mol |
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 216.063 Da |
| Monoisotopic Mass | 216.063 Da |
| Topological Polar Surface Area | 74.200 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 314.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |
