威士忌内酯(CAS 39212-23-2):分子式 C9H16O2、分子量 156.22。
| CAS号 | 39212-23-2 |
|---|---|
| 分子式 | C9H16O2 |
| 分子量 | 156.22 |
| 沸点 | 93-94 °C |
| LogP | 2.5 |
威士忌内酯 是一种化工化合物,登记 CAS 号为 39212-23-2,分子式 C9H16O2(分子量 156.22)。
登记 CAS 号:39212-23-2
其分子式 C9H16O2 由 9 个碳、16 个氢、2 个氧 组成。
别名/同义词:威士忌内酯 · whisky lactone
威士忌内酯 的 CAS 登记号为 39212-23-2。
分子式 C9H16O2,分子量 156.22。
别名/同义词:威士忌内酯、whisky lactone。
威士忌内酯(CAS 39212-23-2)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 39212-23-2 |
|---|---|
| PubChem CID | 62900 |
| Molecular formula | C9H16O2 |
| IUPAC name | 5-butyl-4-methyloxolan-2-one |
| UNII (FDA) | HKX8Y5BUAO |
| FEMA number | 3803 |
| JECFA number | 437 |
| Molecular Weight | 156.22 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 156.115029749 |
| Monoisotopic Mass | 156.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 93-94 °C |
|---|---|
| Density | 1.442-1.446 |
| Refractive Index | 0.952 |
Oaklactone; 3-Methyl-4-octanolide; beta-Methyl-gamma-octalactone; 4-Hydroxy-3-methyloctanoic acid lactone; FEMA No. 3803; 5-Butyl-4-methyldihydro-2(3H)-furanone; HKX8Y5BUAO; RefChem:902193; 254-357-4; Whiskey lactone; 39212-23-2; 5-butyl-4-methyloxolan-2-one; Methyloctalactone; Quercuslactone a; methyl octalactone; 2(3H)-Furanone, 5-butyldihydro-4-methyl-
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Butter, Cocoa, Coconut No safety concern at current levels of intake when used as a flavouring agent TRS 884-JECFA 49/42 |
|---|---|
| GHS notification summary | 86% (239 / 278) |
| GHS notification summary | 86% (239 / 278) |
|---|---|
| Reported hazard statements | H315 (14%), H319 (14%), H335 (13.7%) |
This chemical does not meet GHS hazard criteria for 86% (239 of 278) of all reports.
H315 (14%): Causes skin irritation [Warning Skin corrosion/irritation]
whisky lactone · CAS 39212-23-2 · C9H16O2. UNII HKX8Y5BUAO. Boiling Point: 93-94 °C; Density: 1.442-1.446; Refractive Index: 0.952.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: whisky lactone