≥95%, mixture of isomers for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
α-Angelica lactone, a cyclic lactone that occurs naturally in tobacco, is generally used in tobacco flavoring.
| Pubchem Sid | 488181376 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181376 |
| Sonrisas canónicas | CC1=CCC(=O)O1 |
| IUPAC Name | 5-methyl-3H-furan-2-one |
| InChIKey | QOTQFLOTGBBMEX-UHFFFAOYSA-N |
| INCHI | 1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3 |
| Isómeros SMILES | CC1=CCC(=O)O1 |
| WGK Alemania | 2 |
| RTECS | LU5075000 |
| Peso molecular | 98.1 |
| Beilstein | 108394 |
| Reaxy-Rn | 108394 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108394&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 |
| Clase | Dihydrofurans |
| Subclass | Furanones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Butenolides |
| Alternative Parents | Enol esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 2-furanone - Enol ester - Lactone - 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 |
| Descripción | This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. |
| External Descriptors | butenolide - angelica lactone |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 E2627045 | Certificate of Analysis | Jul 04, 2023 | A151155 |
| F23171001 | Certificate of Analysis | Jul 04, 2023 | A151155 |
| F23171003 | Certificate of Analysis | Jul 04, 2023 | A151155 |
| F23171005 | Certificate of Analysis | Jul 04, 2023 | A151155 |
| F23171011 | Certificate of Analysis | Jul 04, 2023 | A151155 |
| F23171034 | Certificate of Analysis | Jul 04, 2023 | A151155 |
| F2317997 | Certificate of Analysis | Jul 04, 2023 | A151155 |
| F2317998 | Certificate of Analysis | Jul 04, 2023 | A151155 |
| F2317999 | Certificate of Analysis | Jul 04, 2023 | A151155 |
| Solubilidad | Soluble in water (5g/100mL) and alcohol. |
|---|---|
| Sensibilidad | Moisture sensitive. |
| Índice de refracción | 1.45 |
| Punto de inflamación (°F) | 154.4 °F |
| Punto de inflamación (°C) | 68 °C |
| Punto de ebullición (°C) | 56 °C/12 mmHg |
| Punto de fusión (°C) | 16 °C |
| Peso molecular | 98.100 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 98.0368 Da |
| Monoisotopic Mass | 98.0368 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 124.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
| 1. Muhammad Umair Ahmad, Guoying Zhao, Shahid Hussain. (2023) Trifloaluminate Ionic Liquids Supported UIO-67 as Lewis Acidic Catalyst for Excellent Synthesis of Alkyl Levulinates. ChemistrySelect, 8 (43): (e202302665). [PMID:] [10.1002/slct.202302665] |
| 2. Ran Liu, Yuanlong Guo, Min Pei, Yumei Chen, Lihua Zhang, Long Li, Qin Chen, Yaozhu Tian, Haibo Xie. (2023) Cellulose levulinate ester as a robust building block for the synthesis of fully biobased functional cellulose esters. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:37399870] [10.1016/j.ijbiomac.2023.125654] |
| 3. Jingru Wang, Shanhui Zhu, Yunwei Wang, Yingyong Wang, Guoqiang Jin, Xili Tong, Xiangyun Guo. (2020) Enhanced activity of Ru-Ir nanoparticles over SiC for hydrogenation of levulinic acid at room-temperature. MATERIALS RESEARCH BULLETIN, [PMID:] [10.1016/j.materresbull.2020.111128] |
| 4. Youliang Cen, Shanhui Zhu, Jing Guo, Jiachun Chai, Weiyong Jiao, Jianguo Wang, Weibin Fan. (2018) Supported cobalt catalysts for the selective hydrogenation of ethyl levulinate to various chemicals. RSC Advances, 8 (17): (9152-9160). [PMID:35541863] [10.1039/C8RA01316K] |
| 5. Yumei Chen, Chunhui Xie, Yang You, Tonghui Xu, Yunqi Li, Jili Yuan, Haibo Xie, Yuanlong Guo. (2025) Molecularly engineering cellulose to functional cellulose-based aerogel adsorbent for precious metals recovery from e-waste. GREEN CHEMISTRY, [PMID:] [10.1039/D5GC00100E] |
