≥98%, mixture of cis and trans 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.
2-Methyl-4-propyl-1,3-oxathiane (mixture of cis and trans) is the key sulfur-containing aroma and flavor compound of yellow passion fruit.
| Pubchem Sid | 488187229 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187229 |
| Canonical Smiles | CCCC1CCOC(S1)C |
| IUPAC Name | 2-methyl-4-propyl-1,3-oxathiane |
| InChIKey | GKGOLPMYJJXRGD-UHFFFAOYSA-N |
| INCHI | 1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3 |
| Isomeric SMILES | CCCC1CCOC(S1)C |
| WGK Germany | 3 |
| UN Number | 1993 |
| Molecular Weight | 160.28 |
| Reaxy-Rn | 13320064 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13320064&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 | Oxathianes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxathianes |
| Alternative Parents | Monothioacetals Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 1,3-oxathiane - Monothioacetal - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxathianes. These are compounds containing an oxathiane moiety, which consists of a saturated aliphatic six-member ring with one oxygen atom, a sulfur atom, and four carbon atoms. Isomers of oxaphospholane include 1,2-oxathiane, 1,3-oxathiane,and 1,4-oxathiane. |
| External Descriptors | oxacycle - organosulfur heterocyclic compound |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2427403 | Certificate of Analysis | May 27, 2024 | M103004 |
| F2427404 | Certificate of Analysis | May 27, 2024 | M103004 |
| F2427405 | Certificate of Analysis | May 27, 2024 | M103004 |
| D2318399 | Certificate of Analysis | Mar 08, 2023 | M103004 |
| E1913071 | Certificate of Analysis | Mar 08, 2023 | M103004 |
| Refractive Index | 1.4800 |
|---|---|
| Flash Point(°F) | 50 °C |
| Flash Point(°C) | 50°C |
| Boil Point(°C) | 218-220 °C |
| Molecular Weight | 160.280 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 160.092 Da |
| Monoisotopic Mass | 160.092 Da |
| Topological Polar Surface Area | 34.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 95.300 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
