1-(2,5-二甲基-3-呋喃基)乙烷-1-酮

Description

3-Acetyl-2,5-dimethylfuran is identified by CAS 10599-70-9, molecular formula C8H10O2 and molecular weight 138.07 g/mol. UNII 798V2T7ZBV; ChEBI 167367; InChIKey KBSVBCHYXYXDAG-UHFFFAOYSA-N. Boiling Point: 62.00 °C. @ 0.25 mm Hg; Boiling Point: 83 °C (11 mm Hg); Density: 1.034-1.048.

Identification

CAS Registry Number	10599-70-9
PubChem CID	61527
Molecular formula	C8H10O2
Molecular weight	138.07 g/mol
IUPAC name	1-(2,5-dimethylfuran-3-yl)ethanone
InChIKey	KBSVBCHYXYXDAG-UHFFFAOYSA-N
UNII (FDA)	798V2T7ZBV
ChEBI ID	CHEBI:167367
FEMA number	3391
JECFA number	1506

Computed Descriptors

Molecular Weight	138.16
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	138.068079557
Monoisotopic Mass	138.068079557
Topological Polar Surface Area	30.2
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	62.00 °C. @ 0.25 mm Hg
Boiling Point	83 °C (11 mm Hg)
Density	1.034-1.048
Refractive Index	1.488-1.490

Physical description & handling notes

• Yellow liquid; [Alfa Aesar MSDS]
• Liquid
• Colorless to yellow liquid; Sweet nutty hazelnut aroma with earthy undertones
• slightly
• Slightly soluble in water; Soluble in propylene glycol, most fixed oils
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	99.3% (987 / 994)

GHS Hazard Classification

GHS notification summary	99.3% (987 / 994)

Documented Uses

• Used as a flavoring agent; [FDA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 3-Acetyl-2,5-dimethylfuran; 1-(2,5-Dimethyl-3-furyl)ethanone; 2,5-Dimethyl-3-acetylfuran; Ethanone, 1-(2,5-dimethyl-3-furanyl)-
• IFRA 51st Amendment - Guidance for the use of IFRA Standards
• Prohibition: This material should not be used as a fragrance ingredient

Synonyms

3-Acetyl-2,5-dimethylfuran; 10599-70-9; 1-(2,5-dimethylfuran-3-yl)ethanone; 3-Acetyl-2,5-dimethyl furan; Ethanone, 1-(2,5-dimethyl-3-furanyl)-; 1-(2,5-Dimethyl-3-furyl)ethan-1-one; 1-(2,5-dimethylfuran-3-yl)ethan-1-one; 2,5-Dimethyl-3-acetylfuran; 1-(2,5-Dimethyl-3-furanyl)ethanone; 2,5-Dimethyl-3-furyl methyl ketone; FEMA No. 3391; DTXSID1030317; 3-Acetyl-2-5-dimethylfuran; Ketone, 2,5-dimethyl-3-furyl methyl; EINECS 234-216-3; UNII-798V2T7ZBV

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Acetyl-2,5-dimethylfuran?

CAS 10599-70-9; molecular formula C8H10O2; molecular weight 138.07 g/mol.

What other names is 3-Acetyl-2,5-dimethylfuran known by?

3-Acetyl-2,5-dimethylfuran, 10599-70-9, 1-(2,5-dimethylfuran-3-yl)ethanone, 3-Acetyl-2,5-dimethyl furan, Ethanone, 1-(2,5-dimethyl-3-furanyl)-, 1-(2,5-Dimethyl-3-furyl)ethan-1-one.

What is the regulatory status of 3-Acetyl-2,5-dimethylfuran?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 3-Acetyl-2,5-dimethylfuran classified as hazardous?

99.3% of GHS notifications report no hazard classification (987 of 994).

What are the key physical properties of 3-Acetyl-2,5-dimethylfuran?

Boiling Point: 62.00 °C. @ 0.25 mm Hg; Boiling Point: 83 °C (11 mm Hg); Density: 1.034-1.048; Refractive Index: 1.488-1.490.

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.