Beta-Damascone (CAS 35044-68-9) — formula C13H20O, molecular weight 192.15 g/mol.
Beta-Damascone is a chemical compound with CAS registry number 35044-68-9 and molecular formula C13H20O (molecular weight 192.15 g/mol).
CAS number: 35044-68-9
Its molecular formula C13H20O comprises 13 C, 20 H, 1 O atoms.
Also known as: Beta-Damascone · 4-(2,6,6-trimethyl cyclohex-1-enyl)-but-2-en-4-one
The CAS registry number of Beta-Damascone is 35044-68-9.
Molecular formula C13H20O, molecular weight 192.15 g/mol.
It is also registered under: Beta-Damascone, 4-(2,6,6-trimethyl cyclohex-1-enyl)-but-2-en-4-one.
Public-database records for Beta-Damascone (CAS 35044-68-9), reproduced here for independent cross-checking.
| 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]
| 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) |
| CAS Registry Number | 35044-68-9 |
|---|---|
| PubChem CID | 32052 |
| 分子式 | C13H20O |
| 分子量 | 192.15 g/mol |
| IUPAC 名称 | 1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one |
| InChIKey | BGTBFNDXYDYBEY-UHFFFAOYSA-N |
| UNII（FDA） | NS00008075 |
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
| 分子量 | 192.30 |
|---|---|
| XLogP3 | 3.5 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 2 |
| 精确质量 | 192.151415257 |
| 单同位素质量 | 192.151415257 |
| 拓扑极性表面积 | 17.1 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
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.
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