(E)-Whiskeylactone,5-butyldihydro-4-methyl-2(3H)-Furanone,(+)-trans-Whiskeylactone (CAS 80041-01-6) — formula C9H16O2, molecular weight 156.22; category organic chemicals.
| CAS Number | 80041-01-6 |
|---|---|
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.22 |
| Boiling Point | 93-94 °C |
| LogP | 2.5 |
| Category | Organic Chemicals |
(E)-Whiskeylactone,5-butyldihydro-4-methyl-2(3H)-Furanone,(+)-trans-Whiskeylactone is a carbon-based organic compound with CAS registry number 80041-01-6 and molecular formula C9H16O2 (molecular weight 156.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80041-01-6
Its molecular formula C9H16O2 comprises 9 C, 16 H, 2 O atoms.
Also known as: (E)-Whiskeylactone,5-butyldihydro-4-methyl-2(3H)-Furanone,(+)-trans-Whiskeylactone · (E)-威士忌内酯,5-丁基二氢-4-甲基-2(3H)-呋喃酮,(+)-反式-威士忌内酯
Category: organic chemicals
The CAS registry number of (E)-Whiskeylactone,5-butyldihydro-4-methyl-2(3H)-Furanone,(+)-trans-Whiskeylactone is 80041-01-6.
Molecular formula C9H16O2, molecular weight 156.22.
It is also registered under: (E)-Whiskeylactone,5-butyldihydro-4-methyl-2(3H)-Furanone,(+)-trans-Whiskeylactone, (E)-威士忌内酯,5-丁基二氢-4-甲基-2(3H)-呋喃酮,(+)-反式-威士忌内酯.
Category: Organic Chemicals.
Independent reference data for (E)-Whiskeylactone,5-butyldihydro-4-methyl-2(3H)-Furanone,(+)-trans-Whiskeylactone (CAS 80041-01-6), compiled from public chemistry databases.
| CAS 号 | 80041-01-6 |
|---|---|
| PubChem CID | 62900 |
| 分子式 | C9H16O2 |
| IUPAC 名称 | 5-butyl-4-methyloxolan-2-one |
| UNII（FDA） | HKX8Y5BUAO |
| FEMA 编号 | 3803 |
| JECFA 编号 | 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-
| 法规与食品接触 | 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 通报统计 | 86% (239 / 278) |
| GHS 通报统计 | 86% (239 / 278) |
|---|---|
| 已通报的危害声明 | H315 (14%), H319 (14%), H335 (13.7%) |
(E)-威士忌内酯,5-丁基二氢-4-甲基-2(3H)-呋喃酮,(+)-反式-威士忌内酯 · CAS 80041-01-6 · C9H16O2. UNII HKX8Y5BUAO. Boiling Point: 93-94 °C; Density: 1.442-1.446; Refractive Index: 0.952.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.