2,6,6-Trimethyl-2-cyclohexene-1,4-dione (CAS 1125-21-9) — formula C9H12O2, molecular weight 152.19; category organic chemicals.
| CAS Number | 1125-21-9 |
|---|---|
| Molecular Formula | C9H12O2 |
| Molecular Weight | 152.19 |
| Melting Point | 21 °C |
| Boiling Point | 92.00 to 94.00 °C. @ 11.00 mm Hg |
| LogP | 1 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Cyclohexene-1, 4-dione, 2, 6, 6-trimethyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Cyclohexene-1, 4-dione, 2, 6, 6-trimethyl-: ACTIVE.
2,6,6-Trimethyl-2-cyclohexene-1,4-dione is a carbon-based organic compound with CAS registry number 1125-21-9 and molecular formula C9H12O2 (molecular weight 152.19), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1125-21-9
Its molecular formula C9H12O2 comprises 9 C, 12 H, 2 O atoms.
Also known as: 2,6,6-Trimethyl-2-cyclohexene-1,4-dione · 茶香酮
Category: organic chemicals
The CAS registry number of 2,6,6-Trimethyl-2-cyclohexene-1,4-dione is 1125-21-9.
Molecular formula C9H12O2, molecular weight 152.19.
It is also registered under: 2,6,6-Trimethyl-2-cyclohexene-1,4-dione, 茶香酮.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Cyclohexene-1, 4-dione, 2, 6, 6-trimethyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2,6,6-Trimethyl-2-cyclohexene-1,4-dione (CAS 1125-21-9), compiled from public chemistry databases.
| CAS 号 | 1125-21-9 |
|---|---|
| PubChem CID | 62374 |
| 分子式 | C9H12O2 |
| IUPAC 名称 | 2,6,6-trimethylcyclohex-2-ene-1,4-dione |
| UNII（FDA） | 72WY3KLB5R |
| FEMA 编号 | 3421 |
| JECFA 编号 | 1857 |
| Molecular Weight | 152.19 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.083729621 |
| Monoisotopic Mass | 152.083729621 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 11 |
| Boiling Point | 92.00 to 94.00 °C. @ 11.00 mm Hg |
|---|---|
| Melting Point | 21 °C |
Ketoisophorone; 1125-21-9; 2,6,6-Trimethyl-2-cyclohexene-1,4-dione; 2,6,6-Trimethylcyclohex-2-ene-1,4-dione; keto-Isophorone; 2-CYCLOHEXENE-1,4-DIONE, 2,6,6-TRIMETHYL-; FEMA No. 3421; DTXSID9021685; 72WY3KLB5R; DTXCID701685; RefChem:83049; TMEC-E-D; 214-406-2; 4-Oxoisophorone; 4-Ketoisophorone; Oxopholone
| 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 | 3.4% (54 / 1568) |
| GHS 通报统计 | 3.4% (54 / 1568) |
|---|---|
| 已通报的危害声明 | H302 (85.3%), H317 (13.7%) |
茶香酮 · CAS 1125-21-9 · C9H12O2. UNII 72WY3KLB5R. Boiling Point: 92.00 to 94.00 °C. @ 11.00 mm Hg; Melting Point: 21 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 茶香酮