4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one (CAS 17283-81-7) — formula C13H22O, molecular weight 194.31; category organic chemicals.
| CAS Number | 17283-81-7 |
|---|---|
| Molecular Formula | C13H22O |
| Molecular Weight | 194.31 |
| Boiling Point | 261.00 to 262.00 °C. @ 760.00 mm Hg |
| LogP | 2.7 |
| Category | Organic Chemicals |
4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one is a carbon-based organic compound with CAS registry number 17283-81-7 and molecular formula C13H22O (molecular weight 194.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 17283-81-7
Its molecular formula C13H22O comprises 13 C, 22 H, 1 O atoms.
Also known as: 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one · 4-(2,6,6-三甲基-1-环己烯-1-基)丁-2-酮
Category: organic chemicals
The CAS registry number of 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one is 17283-81-7.
Molecular formula C13H22O, molecular weight 194.31.
It is also registered under: 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one, 4-(2,6,6-三甲基-1-环己烯-1-基)丁-2-酮.
Category: Organic Chemicals.
Independent reference data for 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one (CAS 17283-81-7), compiled from public chemistry databases.
| CAS Registry Number | 17283-81-7 |
|---|---|
| PubChem CID | 519382 |
| Molecular formula | C13H22O |
| IUPAC name | 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one |
| UNII (FDA) | 710YK6CESE |
| FEMA number | 3626 |
| JECFA number | 394 |
| Molecular Weight | 194.31 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 194.167065321 |
| Monoisotopic Mass | 194.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 14 |
| Boiling Point | 261.00 to 262.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 90 °C (0.2 mm Hg) |
| Solubility | 48 mg/L @ 20 °C (exp) |
| Density | 0.920-0.930 |
| Refractive Index | 1.479-1.485 |
Dihydro-beta-ionone; 17283-81-7; FEMA No. 3626; 2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-; 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone; 710YK6CESE; EINECS 241-318-1; Dihydro-.beta.-ionone; DTXSID4047200; AI3-32482; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one; 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one; DTXCID2027200; DIHYDRO-.BETA.-IONONE [FHFI]; RefChem:587695; 4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H411 (97.9%) |
|---|
H411 (97.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one · CAS 17283-81-7 · C13H22O. UNII 710YK6CESE. Boiling Point: 261.00 to 262.00 °C. @ 760.00 mm Hg; Boiling Point: 90 °C (0.2 mm Hg); Solubility: 48 mg/L @ 20 °C (exp).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.