(Z,Z)-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one (CAS 5164-79-4) — formula C13H18O, molecular weight 190.28; category organic chemicals.
| CAS Number | 5164-79-4 |
|---|---|
| Molecular Formula | C13H18O |
| Molecular Weight | 190.28 |
| Boiling Point | 95-110 °C (< 1 mm Hg) |
| LogP | 2.6 |
| Category | Organic Chemicals |
(Z,Z)-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one is a carbon-based organic compound with CAS registry number 5164-79-4 and molecular formula C13H18O (molecular weight 190.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5164-79-4
Its molecular formula C13H18O comprises 13 C, 18 H, 1 O atoms.
Also known as: (Z,Z)-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one · (Z,Z)-4-(2-丁烯亚基)-3,5,5-三甲基环己-2-烯-1-酮
Category: organic chemicals
The CAS registry number of (Z,Z)-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one is 5164-79-4.
Molecular formula C13H18O, molecular weight 190.28.
It is also registered under: (Z,Z)-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one, (Z,Z)-4-(2-丁烯亚基)-3,5,5-三甲基环己-2-烯-1-酮.
Category: Organic Chemicals.
Independent reference data for (Z,Z)-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one (CAS 5164-79-4), compiled from public chemistry databases.
| CAS 号 | 5164-79-4 |
|---|---|
| PubChem CID | 6437349 |
| 分子式 | C13H18O |
| IUPAC 名称 | (4Z)-4-[(Z)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one |
| UNII（FDA） | 8T99GI1LJM |
| FEMA 编号 | 4663 |
| JECFA 编号 | 2057 |
| Molecular Weight | 190.28 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 190.135765193 |
| Monoisotopic Mass | 190.135765193 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 14 |
| Boiling Point | 95-110 °C (< 1 mm Hg) |
|---|---|
| Density | 0.985-1.005 |
| Refractive Index | 1.536-1.556 |
Megastigmatrienone C; UNII-8T99GI1LJM; 8T99GI1LJM; EINECS 225-944-2; MEGASTIGMATRIENONE 2; 5164-79-4; 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (Z,Z)-; 2-CYCLOHEXEN-1-ONE, 4-(2Z)-2-BUTEN-1-YLIDENE-3,5,5-TRIMETHYL-, (4Z)-; 2-CYCLOHEXEN-1-ONE, 4-(2Z)-2-BUTENYLIDENE-3,5,5-TRIMETHYL-, (4Z)-; RefChem:156269; 225-944-2; (6E,8Z)-4,6,8-megastigmatrien-3-one; 13215-88-8; (Z,Z)-4-(2-Butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one; 4-(But-2-en-1-ylidene)-3,5,5-trimethylcyclohex-2-enone; SCHEMBL29645033
| 法规与食品接触 | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents 4-(2-BUTENYLIDENE)-3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-ONE |
|---|
| 已通报的危害声明 | H302 (100%) |
|---|
(Z,Z)-4-(2-丁烯亚基)-3,5,5-三甲基环己-2-烯-1-酮 · CAS 5164-79-4 · C13H18O. UNII 8T99GI1LJM. Boiling Point: 95-110 °C (< 1 mm Hg); Density: 0.985-1.005; Refractive Index: 1.536-1.556.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.