1-(2,6,6-trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one (CAS 7784-98-7) — formula C14H22O, molecular weight 206.32; category organic chemicals.
| CAS Number | 7784-98-7 |
|---|---|
| Molecular Formula | C14H22O |
| Molecular Weight | 206.32 |
| Boiling Point | 232 °C |
| LogP | 3.6 |
| Applications | Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 1-Penten-3-one, 1-(2, 6, 6-trimethyl-3-cyclohexen-1-yl)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 1-Penten-3-one, 1-(2, 6, 6-trimethyl-3-cyclohexen-1-yl)-: ACTIVE.
1-(2,6,6-trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one is a carbon-based organic compound with CAS registry number 7784-98-7 and molecular formula C14H22O (molecular weight 206.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7784-98-7
Its molecular formula C14H22O comprises 14 C, 22 H, 1 O atoms.
Also known as: 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one · 1-(2,6,6-三甲基-3-环己烯-1-基)-1-戊烯-3-酮
Category: organic chemicals
The CAS registry number of 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one is 7784-98-7.
Molecular formula C14H22O, molecular weight 206.32.
It is also registered under: 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one, 1-(2,6,6-三甲基-3-环己烯-1-基)-1-戊烯-3-酮.
Recorded applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 1-Penten-3-one, 1-(2, 6, 6-trimethyl-3-cyclohexen-1-yl)-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one (CAS 7784-98-7), compiled from public chemistry databases.
| CAS 号 | 7784-98-7 |
|---|---|
| PubChem CID | 5463913 |
| 分子式 | C14H22O |
| IUPAC 名称 | (E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one |
| UNII（FDA） | 11E70LY0Z5 |
| FEMA 编号 | 2713 |
| JECFA 编号 | 400 |
| Molecular Weight | 206.32 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 206.167065321 |
| Monoisotopic Mass | 206.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 15 |
| Boiling Point | 232 °C |
|---|---|
| Density | 0.931-0.938 |
| Refractive Index | 1.493-1.499 |
Methyl-delta-ionone; methyl delta-ionone; Methylionone, delta-; EINECS 232-074-7; UNII-11E70LY0Z5; 7784-98-7; 5-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-4-penten-3-one; 11E70LY0Z5; METHYL .DELTA.-IONONE; METHYL-.DELTA.-IONONE; (1E)-1-(2,6,6-TRIMETHYLCYCLOHEX-3-EN-1-YL)PENT-1-EN-3-ONE; RefChem:158116; 232-074-7; 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one; 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one; (E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one
| 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 Floral No safety concern at current levels of intake when used as a flavouring agent |
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| 已通报的危害声明 | H315 (52.3%), H317 (65.6%), H319 (38.3%), H411 (100%) |
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1-(2,6,6-三甲基-3-环己烯-1-基)-1-戊烯-3-酮 · CAS 7784-98-7 · C14H22O. UNII 11E70LY0Z5. Boiling Point: 232 °C; Density: 0.931-0.938; Refractive Index: 1.493-1.499.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.