whisky lactone (CAS 39212-23-2) — formula C9H16O2, molecular weight 156.22; category organic chemicals.
| CAS Number | 39212-23-2 |
|---|---|
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.22 |
| Boiling Point | 93-94 °C |
| LogP | 2.5 |
| Applications | Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Household Products: Information on 3 consumer products that contain 3-Methyl-Gamma-Octalactone in the following categories is provided:, • Auto Products, • Inside the Home, General Manufacturing Information: 2(3H)-Furanone, 5-butyldihydro-4-methyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Household Products: Information on 3 consumer products that contain 3-Methyl-Gamma-Octalactone in the following categories is provided:, • Auto Products, • Inside the Home, General Manufacturing Information: 2(3H)-Furanone, 5-butyldihydro-4-methyl-: ACTIVE.
whisky lactone is a carbon-based organic compound with CAS registry number 39212-23-2 and molecular formula C9H16O2 (molecular weight 156.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 39212-23-2
Its molecular formula C9H16O2 comprises 9 C, 16 H, 2 O atoms.
Also known as: whisky lactone · 威士忌内酯
Category: organic chemicals
The CAS registry number of whisky lactone is 39212-23-2.
Molecular formula C9H16O2, molecular weight 156.22.
It is also registered under: whisky lactone, 威士忌内酯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Household Products: Information on 3 consumer products that contain 3-Methyl-Gamma-Octalactone in the following categories is provided:, • Auto Products, • Inside the Home, General Manufacturing Information: 2(3H)-Furanone, 5-butyldihydro-4-methyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for whisky lactone (CAS 39212-23-2), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 威士忌内酯