1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one (CAS 57378-68-4) — formula C13H20O, molecular weight 192.30; category organic chemicals.
| CAS Number | 57378-68-4 |
|---|---|
| Molecular Formula | C13H20O |
| Molecular Weight | 192.30 |
| LogP | 3.4 |
| Applications | Fragrance Ingredients |
| Category | Organic Chemicals |
Documented applications: Fragrance Ingredients.
1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one is a carbon-based organic compound with CAS registry number 57378-68-4 and molecular formula C13H20O (molecular weight 192.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 57378-68-4
Its molecular formula C13H20O comprises 13 C, 20 H, 1 O atoms.
Also known as: 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one · 1-(2,6,6-三甲基-3-环己烯-1-基)-2-丁烯-1-酮
Category: organic chemicals
The CAS registry number of 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one is 57378-68-4.
Molecular formula C13H20O, molecular weight 192.30.
It is also registered under: 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one, 1-(2,6,6-三甲基-3-环己烯-1-基)-2-丁烯-1-酮.
Recorded applications: Fragrance Ingredients.
Category: Organic Chemicals.
Independent reference data for 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one (CAS 57378-68-4), compiled from public chemistry databases.
| CAS Registry Number | 57378-68-4 |
|---|---|
| PubChem CID | 42296 |
| Molecular formula | C13H20O |
| IUPAC name | 1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one |
| UNII (FDA) | NS00075869 |
| Molecular Weight | 192.30 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 192.151415257 |
| Monoisotopic Mass | 192.151415257 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 14 |
71048-82-3; 1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one; d-damascone; UNII-7F4RIE5P7E; SCHEMBL237110; HCA37868; DB-300387; NS00075869; G78206; 1-(2,6,6-trimethylcyclohex-3-enyl)but-2-en-1-one; 1-(2,6,6-trimethyl-cyclohex-3-enyl)-but-2-en-1-one
| Reported hazard statements | H302 (65.7%), H315 (65.7%), H317 (100%), H400 (45.5%), H410 (99.4%) |
|---|
H302 (65.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (65.7%): Causes skin irritation [Warning Skin corrosion/irritation]
1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one · CAS 57378-68-4 · C13H20O. UNII NS00075869.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.