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Basic Description
| Synonyms | Tetrahydro-6-octyl-2H-pyran-2-one | 6-octyloxan-2-one | δ-Tridecalactone |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactones
- Subclass Delta valerolactones
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Class
Lactones
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Lactones |
| Subclass | Delta valerolactones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Delta valerolactones |
| Alternative Parents | Oxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Delta_valerolactone - Delta valerolactone - Oxane - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504756680 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756680 |
| IUPAC Name | 6-octyloxan-2-one |
| INCHI | InChI=1S/C13H24O2/c1-2-3-4-5-6-7-9-12-10-8-11-13(14)15-12/h12H,2-11H2,1H3 |
| InChIKey | RZZLMGATMUAJPX-UHFFFAOYSA-N |
| Smiles | CCCCCCCCC1CCCC(=O)O1 |
| Isomeric SMILES | CCCCCCCCC1CCCC(=O)O1 |
| Molecular Weight | 212.33 |
| Reaxy-Rn | 1343458 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1343458&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 |
|---|---|---|---|
 B2419823 |
Certificate of Analysis | Feb 01, 2024 | D155354 |
| B2419824 |
Certificate of Analysis | Feb 01, 2024 | D155354 |
| B2419828 |
Certificate of Analysis | Feb 01, 2024 | D155354 |
| B2419883 |
Certificate of Analysis | Feb 01, 2024 | D155354 |
| B2419825 |
Certificate of Analysis | Feb 01, 2024 | D155354 |
| B2419822 |
Certificate of Analysis | Feb 01, 2024 | D155354 |
| B2419826 |
Certificate of Analysis | Feb 01, 2024 | D155354 |
| B2419882 |
Certificate of Analysis | Feb 01, 2024 | D155354 |
Chemical and Physical Properties
| Boil Point(°C) | 160°C/2mmHg(lit.) |
|---|---|
| Molecular Weight | 212.330 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 212.178 Da |
| Monoisotopic Mass | 212.178 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 177.000 |
| 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 |
Solution Calculators
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