≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice,FedEx DG Service 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.
Allyl Acetone is used as a nature identical flavor and fragrance. And it is also used to produce 2-methyl-hex-5-en-2-ol.
| Pubchem Sid | 504751535 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751535 |
| 정식 스마일 | CC(=O)CCC=C |
| IUPAC Name | hex-5-en-2-one |
| InChIKey | RNDVGJZUHCKENF-UHFFFAOYSA-N |
| INCHI | 1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3 |
| 이성체 SMILES | CC(=O)CCC=C |
| WGK 독일 | 3 |
| UN 번호 | 1224 |
| 포장 그룹 | III |
| 분자량 | 98.14 |
| Beilstein | 1699137 |
| Reaxy-Rn | 1699137 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699137&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 | Organic oxygen compounds |
| 분류 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ketones |
| Alternative Parents | Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. |
| External Descriptors | Oxygenated hydrocarbons |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 C2010144 | Certificate of Analysis | Jun 05, 2025 | H113634 |
| G2412330 | Certificate of Analysis | Apr 26, 2024 | H113634 |
| G2418295 | Certificate of Analysis | Apr 26, 2024 | H113634 |
| G2418296 | Certificate of Analysis | Apr 26, 2024 | H113634 |
| C2204216 | Certificate of Analysis | Jan 21, 2022 | H113634 |
| C2204221 | Certificate of Analysis | Jan 21, 2022 | H113634 |
| C2204227 | Certificate of Analysis | Jan 21, 2022 | H113634 |
| C2204239 | Certificate of Analysis | Jan 21, 2022 | H113634 |
| 용해성 | Soluble in water. |
|---|---|
| 감도 | Air & Heat Sensitive |
| 굴절률 | 1.419 |
| 발화점(°F) | 75.2 °F |
| 발화점(°C) | 24 °C |
| 끓는점(°C) | 128-129°C |
| 분자량 | 98.140 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 98.0732 Da |
| Monoisotopic Mass | 98.0732 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 74.200 |
| 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 |
