5-Methyl-3-hexen-2-one (CAS 5166-53-0) — formula C7H12O, molecular weight 112.09 g/mol; category organic chemicals.
| CAS Number | 5166-53-0 |
|---|---|
| Molecular Formula | C7H12O |
| Molecular Weight | 112.09 g/mol |
| Boiling Point | 77.5 °C (50 mm Hg) |
| LogP | 1.5 |
| Category | Organic Chemicals |
5-Methyl-3-hexen-2-one is a carbon-based organic compound with CAS registry number 5166-53-0 and molecular formula C7H12O (molecular weight 112.09 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5166-53-0
Its molecular formula C7H12O comprises 7 C, 12 H, 1 O atoms.
Also known as: 5-Methyl-3-hexen-2-one · 5-甲基-3-己烯-2-酮 (含5-甲基-4-己烯-2-酮)
Category: organic chemicals
The CAS registry number of 5-Methyl-3-hexen-2-one is 5166-53-0.
Molecular formula C7H12O, molecular weight 112.09 g/mol.
It is also registered under: 5-Methyl-3-hexen-2-one, 5-甲基-3-己烯-2-酮 (含5-甲基-4-己烯-2-酮).
Category: Organic Chemicals.
Independent reference data for 5-Methyl-3-hexen-2-one (CAS 5166-53-0), compiled from public chemistry databases.
| CAS 号 | 5166-53-0 |
|---|---|
| PubChem CID | 21244 |
| 分子式 | C7H12O |
| 分子量 | 112.09 g/mol |
| IUPAC 名称 | 5-methylhex-3-en-2-one |
| InChIKey | IYMKNYVCXUEFJE-UHFFFAOYSA-N |
| UNII（FDA） | NS00022277 |
| JECFA 编号 | 1132 |
| Molecular Weight | 112.17 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 112.088815002 |
| Monoisotopic Mass | 112.088815002 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 8 |
| Boiling Point | 77.5 °C (50 mm Hg) |
|---|---|
| Density | 0.838-0.843 |
| Refractive Index | 1.437-1.441 |
5-Methylhex-3-en-2-one; RefChem:537264; Isobutylidenaceton; 5-methyl-3-hexene-2-one; SCHEMBL320740; 5-?Methyl-?3-?hexen-?2-?one; AKOS028110111; DB-100401; M2366; NS00022277; F868672
| 法规与食品接触 | EU Flavoring substances Flavoring Agents |
|---|
| 已通报的危害声明 | H226 (100%), H302 (100%), H311 (100%), H319 (85.5%), H331 (85.5%), H332 (12.9%) |
|---|
5-甲基-3-己烯-2-酮 (含5-甲基-4-己烯-2-酮) 的 CAS 号为 5166-53-0，分子式 C7H12O，分子量 112.09 g/mol。 UNII NS00022277; InChIKey IYMKNYVCXUEFJE-UHFFFAOYSA-N. Boiling Point: 77.5 °C (50 mm Hg); Density: 0.838-0.843; Refractive Index: 1.437-1.441.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.