1-(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)ethan-1-one (CAS 40824-36-0) — formula C12H18O, molecular weight 178.27; category organic chemicals.
| CAS Number | 40824-36-0 |
|---|---|
| Molecular Formula | C12H18O |
| Molecular Weight | 178.27 |
| LogP | 2.2 |
| Category | Organic Chemicals |
1-(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)ethan-1-one is a carbon-based organic compound with CAS registry number 40824-36-0 and molecular formula C12H18O (molecular weight 178.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40824-36-0
Its molecular formula C12H18O comprises 12 C, 18 H, 1 O atoms.
Also known as: 1-(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)ethan-1-one · 1-(3,7,7-三甲基双环[4.1.0]庚-3-烯-2-基)乙烷-1-酮
Category: organic chemicals
The CAS registry number of 1-(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)ethan-1-one is 40824-36-0.
Molecular formula C12H18O, molecular weight 178.27.
It is also registered under: 1-(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)ethan-1-one, 1-(3,7,7-三甲基双环[4.1.0]庚-3-烯-2-基)乙烷-1-酮.
Category: Organic Chemicals.
Independent reference data for 1-(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)ethan-1-one (CAS 40824-36-0), compiled from public chemistry databases.
| CAS 号 | 40824-36-0 |
|---|---|
| PubChem CID | 538481 |
| 分子式 | C12H18O |
| IUPAC 名称 | 1-(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)ethanone |
| UNII（FDA） | NS00056834 |
| Molecular Weight | 178.27 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 178.135765193 |
| Monoisotopic Mass | 178.135765193 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 13 |
40824-36-0; EINECS 255-095-3; 1-(3,7,7-Trimethylbicyclo(4.1.0)hept-3-en-2-yl)ethan-1-one; 3-Carene, 2-acetyl-; 1-(3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-3-EN-2-YL)ETHAN-1-ONE; SCHEMBL9838196; DTXSID80961246; NS00056834; 1-(3,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-yl)ethanone #
1-(3,7,7-三甲基双环[4.1.0]庚-3-烯-2-基)乙烷-1-酮 · CAS 40824-36-0 · C12H18O. UNII NS00056834.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.