4-(2,6,6-trimethyl cyclohex-1-enyl)-but-2-en-4-one (CAS 35044-68-9) — formula C13H20O, molecular weight 192.30; category organic chemicals.
| CAS Number | 35044-68-9 |
|---|---|
| Molecular Formula | C13H20O |
| Molecular Weight | 192.30 |
| LogP | 3.5 |
| Applications | Use Classification: Fragrance Ingredients, Household Products: Information on 2 consumer products that contain beta-Damascone in the following categories is provided:, • Auto Products, • Inside the Home, General Manufacturing Information: 2-Buten-1-one, 1-(2, 6, 6-trimethyl-1-cyclohexen-1-yl)-, (2Z)-: ACTIVE, 2-Buten-1-one, 6-trimethyl-1-cyclohexen-1-yl)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Household Products: Information on 2 consumer products that contain beta-Damascone in the following categories is provided:, • Auto Products, • Inside the Home, General Manufacturing Information: 2-Buten-1-one, 1-(2, 6, 6-trimethyl-1-cyclohexen-1-yl)-, (2Z)-: ACTIVE, 2-Buten-1-one, 6-trimethyl-1-cyclohexen-1-yl)-: ACTIVE.
4-(2,6,6-trimethyl cyclohex-1-enyl)-but-2-en-4-one is a carbon-based organic compound with CAS registry number 35044-68-9 and molecular formula C13H20O (molecular weight 192.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 35044-68-9
Its molecular formula C13H20O comprises 13 C, 20 H, 1 O atoms.
Also known as: 4-(2,6,6-trimethyl cyclohex-1-enyl)-but-2-en-4-one · Beta-大马酮 · Beta-Damascone
Category: organic chemicals
The CAS registry number of 4-(2,6,6-trimethyl cyclohex-1-enyl)-but-2-en-4-one is 35044-68-9.
Molecular formula C13H20O, molecular weight 192.30.
It is also registered under: 4-(2,6,6-trimethyl cyclohex-1-enyl)-but-2-en-4-one, Beta-大马酮, Beta-Damascone.
Recorded applications: Use Classification: Fragrance Ingredients, Household Products: Information on 2 consumer products that contain beta-Damascone in the following categories is provided:, • Auto Products, • Inside the Home, General Manufacturing Information: 2-Buten-1-one, 1-(2, 6, 6-trimethyl-1-cyclohexen-1-yl)-, (2Z)-: ACTIVE, 2-Buten-1-one, 6-trimethyl-1-cyclohexen-1-yl)-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 4-(2,6,6-trimethyl cyclohex-1-enyl)-but-2-en-4-one (CAS 35044-68-9), compiled from public chemistry databases.
| CAS Registry Number | 35044-68-9 |
|---|---|
| PubChem CID | 32052 |
| Molecular formula | C13H20O |
| Molecular weight | 192.15 g/mol |
| IUPAC name | 1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one |
| InChIKey | BGTBFNDXYDYBEY-UHFFFAOYSA-N |
| UNII (FDA) | NS00008075 |
| Molecular Weight | 192.30 |
|---|---|
| XLogP3 | 3.5 |
| 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 |
35044-68-9; DTXSID1067885; RefChem:196896; DTXCID3038935; 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one; beta-damascone; 1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one; 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z)-; 1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one; 2376-92-3; 4-(2.6.6-TRIMETHYL CYCLOHEX-1-ENYL)-BUT-2-EN-4-ONE; b-Damascone sum of isomers; SCHEMBL856724; KBA04468; AKOS028109418; NS00008075
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT 4-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)BUT-2-EN-4-ONE |
|---|---|
| GHS notification summary | 0.4% (1 / 275) |
| GHS notification summary | 0.4% (1 / 275) |
|---|---|
| Reported hazard statements | H317 (99.6%) |
This chemical does not meet GHS hazard criteria for 0.4% (1 of 275) of reports.
H317 (99.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Beta-Damascone is identified by CAS 35044-68-9, molecular formula C13H20O and molecular weight 192.15 g/mol. UNII NS00008075; InChIKey BGTBFNDXYDYBEY-UHFFFAOYSA-N.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: Beta-大马酮