大马士酮（CAS 23726-93-4）：分子式 C13H18O、分子量 190.28。
| CAS号 | 23726-93-4 |
|---|---|
| 分子式 | C13H18O |
| 分子量 | 190.28 |
| 沸点 | 274.00 to 276.00 °C. @ 760.00 mm Hg |
| LogP | 3.2 |
大马士酮 是一种化工化合物，登记 CAS 号为 23726-93-4，分子式 C13H18O（分子量 190.28）。
登记 CAS 号：23726-93-4
其分子式 C13H18O 由 13 个碳、18 个氢、1 个氧 组成。
别名/同义词：大马士酮 · Beta-Damascenone
大马士酮 的 CAS 登记号为 23726-93-4。
分子式 C13H18O，分子量 190.28。
别名/同义词：大马士酮、Beta-Damascenone。
大马士酮（CAS 23726-93-4）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 23726-93-4 |
|---|---|
| PubChem CID | 5366074 |
| Molecular formula | C13H18O |
| Molecular weight | 190.14 g/mol |
| IUPAC name | (E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one |
| InChIKey | POIARNZEYGURDG-FNORWQNLSA-N |
| UNII (FDA) | U66V25TBO0 |
| ChEBI ID | CHEBI:67251 |
| FEMA number | 3420 |
| JECFA number | 387 |
| Molecular Weight | 190.28 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 190.135765193 |
| Monoisotopic Mass | 190.135765193 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 14 |
| Boiling Point | 274.00 to 276.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 60 °C |
| Density | 0.945-0.952 (20 °C) |
| Refractive Index | 1.508-1.514 |
beta-Damascenone; 23726-93-4; trans-beta-Damascenone; trans-damascenone; (E)-beta-damascenone; FEMA No. 3420; (E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; U66V25TBO0; 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-4-one; CHEBI:67251; DTXSID90885242; 1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2E-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2E-buten-1-one; RefChem:567817; DTXCID4021397; 245-833-2
| 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 | H315 (69.9%), H317 (99.9%), H411 (99.8%) |
|---|
H315 (69.9%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Beta-Damascenone is identified by CAS 23726-93-4, molecular formula C13H18O and molecular weight 190.14 g/mol. UNII U66V25TBO0; ChEBI 67251; InChIKey POIARNZEYGURDG-FNORWQNLSA-N. Boiling Point: 274.00 to 276.00 °C. @ 760.00 mm Hg; Boiling Point: 60 °C; Density: 0.945-0.952 (20 °C).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Beta-Damascenone