Irone (CAS 79-69-6) — formula C14H22O, molecular weight 206.32; category organic chemicals.
| CAS Number | 79-69-6 |
|---|---|
| Molecular Formula | C14H22O |
| Molecular Weight | 206.32 |
| Melting Point | < 25 °C |
| Boiling Point | 110.00 to 112.00 °C. @ 3.00 mm Hg |
| LogP | 3.2 |
| Category | Organic Chemicals |
Irone is a carbon-based organic compound with CAS registry number 79-69-6 and molecular formula C14H22O (molecular weight 206.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 79-69-6
Its molecular formula C14H22O comprises 14 C, 22 H, 1 O atoms.
Also known as: Irone · 艾朗内
Category: organic chemicals
The CAS registry number of Irone is 79-69-6.
Molecular formula C14H22O, molecular weight 206.32.
It is also registered under: Irone, 艾朗内.
Category: Organic Chemicals.
Independent reference data for Irone (CAS 79-69-6), compiled from public chemistry databases.
| CAS 号 | 79-69-6 |
|---|---|
| PubChem CID | 5371002 |
| 分子式 | C14H22O |
| IUPAC 名称 | (E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one |
| UNII（FDA） | O3M0L879K6 |
| FEMA 编号 | 2597 |
| JECFA 编号 | 403 |
| Molecular Weight | 206.32 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 206.167065321 |
| Monoisotopic Mass | 206.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 15 |
| Boiling Point | 110.00 to 112.00 °C. @ 3.00 mm Hg |
|---|---|
| Boiling Point | 110 -112 °C (3.2 mm Hg) |
| Melting Point | < 25 °C |
| Solubility | 110 mg/L @ 20 °C (exp) |
| Density | 0.932-0.939 |
| Refractive Index | 1.497-1.503 |
alpha-Irone; 79-69-6; Methyl alpha-ionone; 6-Methyl-alpha-ionone; 4-(2,5,6,6-Tetramethylcyclohex-2-enyl)but-3-en-2-one; FEMA No. 2597; 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one; DTXSID4047042; CHEBI:10284; DTXCID10196549; (3E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one; O3M0L879K6; RefChem:915528; 201-219-6; 6-Methylionone; Irone
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 78.5% (1323 / 1686) |
| GHS 通报统计 | 78.5% (1323 / 1686) |
|---|---|
| 已通报的危害声明 | H412 (17.7%), H315, H317 |
艾朗内 · CAS 79-69-6 · C14H22O. UNII O3M0L879K6. Boiling Point: 110.00 to 112.00 °C. @ 3.00 mm Hg; Boiling Point: 110 -112 °C (3.2 mm Hg); Melting Point: < 25 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 艾朗内