(E)-5-methylhex-3-en-2-one (CAS 1821-29-0) — formula C7H12O, molecular weight 112.17; category organic chemicals.
| CAS Number | 1821-29-0 |
|---|---|
| Molecular Formula | C7H12O |
| Molecular Weight | 112.17 |
| Boiling Point | 77.5 °C (50 mm Hg) |
| LogP | 1.5 |
| Applications | Used as flavoring agent or adjuvant |
| Category | Organic Chemicals |
Documented applications: Used as flavoring agent or adjuvant.
(E)-5-methylhex-3-en-2-one is a carbon-based organic compound with CAS registry number 1821-29-0 and molecular formula C7H12O (molecular weight 112.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1821-29-0
Its molecular formula C7H12O comprises 7 C, 12 H, 1 O atoms.
Also known as: (E)-5-methylhex-3-en-2-one · (E)-5-甲基己-3-en-2-酮
Category: organic chemicals
The CAS registry number of (E)-5-methylhex-3-en-2-one is 1821-29-0.
Molecular formula C7H12O, molecular weight 112.17.
It is also registered under: (E)-5-methylhex-3-en-2-one, (E)-5-甲基己-3-en-2-酮.
Recorded applications: Used as flavoring agent or adjuvant.
Category: Organic Chemicals.
Independent reference data for (E)-5-methylhex-3-en-2-one (CAS 1821-29-0), compiled from public chemistry databases.
| CAS 号 | 1821-29-0 |
|---|---|
| PubChem CID | 5363140 |
| 分子式 | C7H12O |
| IUPAC 名称 | (E)-5-methylhex-3-en-2-one |
| UNII（FDA） | 8L0NZD2EIQ |
| FEMA 编号 | 3409 |
| 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-METHYL-3-HEXEN-2-ONE; (E)-5-methylhex-3-en-2-one; 3-Hexen-2-one, 5-methyl-; 5166-53-0; filbert hexenone; 5-Methyl-3E-hexen-2-one; (3E)-5-methylhex-3-en-2-one; BRN 1720101; EINECS 225-950-5; AI3-22171; 8L0NZD2EIQ; (3E)-5-Methyl-3-hexen-2-one; 3-Hexen-2-one, 5-Me; isobutylidene acetone; (E)-5-Methyl-3-hexen-2-one; UNII-8L0NZD2EIQ
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|
| 已通报的危害声明 | H226 (100%), H302 (100%), H311 (100%), H319 (85.5%), H331 (85.5%), H332 (12.9%) |
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(E)-5-甲基己-3-en-2-酮 · CAS 1821-29-0 · C7H12O. UNII 8L0NZD2EIQ. 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.
中文页面: (E)-5-甲基己-3-en-2-酮