威士忌内酯

Description

whisky lactone · CAS 39212-23-2 · C9H16O2. UNII HKX8Y5BUAO. Boiling Point: 93-94 °C; Density: 1.442-1.446; Refractive Index: 0.952.

Identification

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

Computed Descriptors

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
Formal Charge	0

Physical & Chemical Properties

Boiling Point	93-94 °C
Density	1.442-1.446
Refractive Index	0.952

Physical description & handling notes

• colourless liquid
• soluble in water to <0.1%; soluble in hexane to >50%
• (in ethanol)

Regulatory Status

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 Hazard Classification

GHS notification summary	86% (239 / 278)
Reported hazard statements	H315 (14%), H319 (14%), H335 (13.7%)

Documented Uses

• Flavoring Agents -> JECFA Flavorings Index
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Information on 3 consumer products that contain 3-Methyl-Gamma-Octalactone in the following categories is provided:
• 2(3H)-Furanone, 5-butyldihydro-4-methyl-: ACTIVE

Synonyms

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-

Frequently Asked Questions

What are the CAS number and molecular formula of whisky lactone?

CAS 39212-23-2; molecular formula C9H16O2; molecular weight — g/mol.

What other names is whisky lactone known by?

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.

What is the regulatory status of whisky lactone?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents; FLAVOURING_AGENT: Flavouring Agent.

Is whisky lactone classified as hazardous?

86% of GHS notifications report no hazard classification (239 of 278).

What are the key physical properties of whisky lactone?

Boiling Point: 93-94 °C; Density: 1.442-1.446; Refractive Index: 0.952.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.