4-(2,5,6,6-tetramethylcyclohex-1-enyl)but-3-en-2-one (CAS 79-70-9) — formula C14H22O, molecular weight 206.32; category organic chemicals.
| CAS Number | 79-70-9 |
|---|---|
| Molecular Formula | C14H22O |
| Molecular Weight | 206.32 |
| LogP | 3.2 |
| Applications | Fragrance Ingredients |
| Category | Organic Chemicals |
Documented applications: Fragrance Ingredients.
4-(2,5,6,6-tetramethylcyclohex-1-enyl)but-3-en-2-one is a carbon-based organic compound with CAS registry number 79-70-9 and molecular formula C14H22O (molecular weight 206.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 79-70-9
Its molecular formula C14H22O comprises 14 C, 22 H, 1 O atoms.
Also known as: 4-(2,5,6,6-tetramethylcyclohex-1-enyl)but-3-en-2-one · 4-(2,5,6,6-四甲基环己-1-烯基)丁-3-烯-2-酮
Category: organic chemicals
The CAS registry number of 4-(2,5,6,6-tetramethylcyclohex-1-enyl)but-3-en-2-one is 79-70-9.
Molecular formula C14H22O, molecular weight 206.32.
It is also registered under: 4-(2,5,6,6-tetramethylcyclohex-1-enyl)but-3-en-2-one, 4-(2,5,6,6-四甲基环己-1-烯基)丁-3-烯-2-酮.
Recorded applications: Fragrance Ingredients.
Category: Organic Chemicals.
Independent reference data for 4-(2,5,6,6-tetramethylcyclohex-1-enyl)but-3-en-2-one (CAS 79-70-9), compiled from public chemistry databases.
| CAS Registry Number | 79-70-9 |
|---|---|
| PubChem CID | 101539 |
| Molecular formula | C14H22O |
| IUPAC name | 4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one |
| UNII (FDA) | NS00078891 |
| Molecular Weight | 206.32 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 206.167065321 |
| Monoisotopic Mass | 206.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 15 |
EINECS 259-427-8; 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-3-buten-2-one; 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl)-; 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-; 4-(2,5,6,6-Tetramethyl-1(or 2)-cyclohexen-1-yl)-3-buten-2-one; 4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one; RefChem:93281; DTXSID00904392; 259-427-8; 54992-91-5; 4-(2,5,6,6-tetramethylcyclohex-1-en-1-yl)but-3-en-2-one; SCHEMBL873117; BGKCUGPVLVNPSG-UHFFFAOYSA-N; NS00078891
| GHS notification summary | 99.9% (1376 / 1377) |
|---|
| GHS notification summary | 99.9% (1376 / 1377) |
|---|---|
| Reported hazard statements | H315, H317 |
This chemical does not meet GHS hazard criteria for > 99.9% (1376 of 1377) of all reports.
Reported as not meeting GHS hazard criteria by 1376 of 1377 companies (only < 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
4-(2,5,6,6-tetramethylcyclohex-1-enyl)but-3-en-2-one · CAS 79-70-9 · C14H22O. UNII NS00078891.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.