Tabanone (CAS 13215-88-8) — formula C13H18O, molecular weight 190.28; category organic chemicals.
| CAS Number | 13215-88-8 |
|---|---|
| Molecular Formula | C13H18O |
| Molecular Weight | 190.28 |
| Boiling Point | 95-110 °C (< 1 mm Hg) |
| LogP | 2.6 |
| Category | Organic Chemicals |
Tabanone is a carbon-based organic compound with CAS registry number 13215-88-8 and molecular formula C13H18O (molecular weight 190.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13215-88-8
Its molecular formula C13H18O comprises 13 C, 18 H, 1 O atoms.
Also known as: Tabanone · 巨豆三烯酮
Category: organic chemicals
The CAS registry number of Tabanone is 13215-88-8.
Molecular formula C13H18O, molecular weight 190.28.
It is also registered under: Tabanone, 巨豆三烯酮.
Category: Organic Chemicals.
Independent reference data for Tabanone (CAS 13215-88-8), compiled from public chemistry databases.
| CAS 号 | 13215-88-8 |
|---|---|
| PubChem CID | 107631 |
| 分子式 | C13H18O |
| IUPAC 名称 | 4-but-2-enylidene-3,5,5-trimethylcyclohex-2-en-1-one |
| UNII（FDA） | NS00012021 |
| 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 |
2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-; 4-but-2-enylidene-3,5,5-trimethylcyclohex-2-en-1-one; RefChem:470863; 13215-88-8; Tabanone; 4-(But-2-en-1-ylidene)-3,5,5-trimethylcyclohex-2-enone; (Z,Z/Z,E)-tobacco cyclohexenone; Megastigmatrienone (mixed isomers); 2-Cyclohexen-1-one, 4-(2-buten-1-ylidene)-3,5,5-trimethyl-; 4-(BUT-2-EN-1-YLIDENE)-3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-ONE; SCHEMBL756992; (E)-4-((E)-But-2-en-1-ylidene)-3,5,5-trimethylcyclohex-2-enone; DTXSID20863497; (4E)-4-[(2E)-BUT-2-EN-1-YLIDENE]-3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-ONE; (E,E/E,Z)-tobacco cyclohexenone; MFCD09839024
| 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%) |
|---|
巨豆三烯酮 · CAS 13215-88-8 · C13H18O. UNII NS00012021. 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.
中文页面: 巨豆三烯酮