≥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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181737 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181737 |
| Canonical Smiles | CCCC1CCCC(=O)O1 |
| IUPAC Name | 6-propyloxan-2-one |
| InChIKey | FYTRVXSHONWYNE-UHFFFAOYSA-N |
| INCHI | 1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3 |
| Isomeric SMILES | CCCC1CCCC(=O)O1 |
| RTECS | UQ1355500 |
| Molecular Weight | 142.2 |
| Reaxy-Rn | 111515 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111515&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 | 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 | Lactones |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2601446 | Certificate of Analysis | Jun 16, 2026 | O117516 |
| G2601451 | Certificate of Analysis | Jun 16, 2026 | O117516 |
| G2601452 | Certificate of Analysis | Jun 16, 2026 | O117516 |
| C1214001 | Certificate of Analysis | Mar 17, 2023 | O117516 |
| D2324017 | Certificate of Analysis | Mar 17, 2023 | O117516 |
| Refractive Index | 1.45 |
|---|---|
| Flash Point(°F) | 257℉ |
| Flash Point(°C) | 125°C |
| Boil Point(°C) | 238°C |
| Melt Point(°C) | -14°C |
| Molecular Weight | 142.200 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 142.099 Da |
| Monoisotopic Mass | 142.099 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 120.000 |
| 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 |
| 1. Shuxing Zhou, Chunlin Li, Li Li, Feng Xie, Karyne M. Rogers, Yuwei Yuan, Jun Huang. (2025) Differentiating volatile compounds in soy sauce that regulate the attractiveness of flesh flies (Parasarcophaga dux). FOOD CHEMISTRY, [PMID:41027210] [10.1016/j.foodchem.2025.146504] |
| 2. Wenyi Duan, Zhenyu Yao, Chengkui Qiao, Junren Meng, Shihang Sun, Lei Pan, Liang Niu, Guochao Cui, Zhiqiang Wang, Wenfang Zeng. (2025) Combined volatile metabolome and transcriptome analysis of 60 peach cultivars provide new insights into the formation of aroma and the identification of associated genes. Horticultural Plant Journal, [PMID:] [10.1016/j.hpj.2024.12.005] |
| 3. Xiaoying Li, Chunsheng Liu, Junkai Wu, Xiao Xiao, Libin Zhang, Caixia Chen, Annette S. Wilson, Fuhang Song. (2024) Ester-related volatile compounds reveal the diversity and commonalities of different types of late-ripening peaches. JOURNAL OF FOOD SCIENCE, 89 (3): (1485-1497). [PMID:38317483] [10.1111/1750-3841.16943] |
