3,5,5-Trimethylcyclohexane-1,4-dione (CAS 20547-99-3) — formula C9H14O2, molecular weight 154.21; category organic chemicals.
3,5,5-Trimethylcyclohexane-1,4-dione is a carbon-based organic compound with CAS registry number 20547-99-3 and molecular formula C9H14O2 (molecular weight 154.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 20547-99-3
Its molecular formula C9H14O2 comprises 9 C, 14 H, 2 O atoms.
Also known as: 3,5,5-Trimethylcyclohexane-1,4-dione · 2,2,6-TriMethyl-cyclohexane-1,4-dione
Category: organic chemicals
The CAS registry number of 3,5,5-Trimethylcyclohexane-1,4-dione is 20547-99-3.
Molecular formula C9H14O2, molecular weight 154.21.
It is also registered under: 3,5,5-Trimethylcyclohexane-1,4-dione, 2,2,6-TriMethyl-cyclohexane-1,4-dione.
Category: Organic Chemicals.
Public-database records for 3,5,5-Trimethylcyclohexane-1,4-dione (CAS 20547-99-3), reproduced here for independent cross-checking.
| 已通报的危害声明 | H302 (100%), H315 (100%), H317 (100%), H319 (100%), H335 (100%) |
|---|
| CAS 号 | 20547-99-3 |
|---|---|
| PubChem CID | 30181 |
| 分子式 | C9H14O2 |
| IUPAC 名称 | 2,2,6-trimethylcyclohexane-1,4-dione |
| UNII（FDA） | NS00010665 |
2,2,6-trimethylcyclohexane-1,4-dione; DTXSID70942726; RefChem:440795; DTXCID201371117; 990-180-5; 20547-99-3; 2,2,6-TRIMETHYL-1,4-CYCLOHEXANEDIONE; 1,4-Cyclohexanedione, 2,2,6-trimethyl-; 2,6,6-Trimethyl-1,4-cyclohexanedione; 2,2,6-trimethyl-cyclohexane-1,4-dione; xi-2,2,6-Trimethyl-1,4-cyclohexanedione; 1125-20-8; MFCD14708262; 3,5,5-Trimethyl-1,4-cyclohexanedione; dihydrooxophorone; 2,6,6-Trimethyl-1,4-cyclohexadione
| 分子量 | 154.21 |
|---|---|
| XLogP3 | 0.9 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 0 |
| 精确质量 | 154.099379685 |
| 单同位素质量 | 154.099379685 |
| 拓扑极性表面积 | 34.1 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
2,2,6-三甲基-1,4-环己二酮 · CAS 20547-99-3 · C9H14O2. UNII NS00010665.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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