2,5-Dimethylfuran-3(2H)-one - CAS 14400-67-0

Catalog:	BB009705
Product Name:	2,5-Dimethylfuran-3(2H)-one
CAS:	14400-67-0
Synonyms:	2,5-dimethyl-3-furanone; 2,5-dimethylfuran-3-one

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	2,5-dimethylfuran-3-one
Description:	2,5-Dimethylfuran-3(2H)-one (CAS# 14400-67-0) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C6H8O2
Canonical SMILES:	CC1C(=O)C=C(O1)C
InChI:	InChI=1S/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3
InChI Key:	ASOSVCXGWPDUGN-UHFFFAOYSA-N
Boiling Point:	169.4 °C at 760 mmHg
Density:	1.042 g/cm³
Solubility:	Slightly soluble
Appearance:	Pale yellow liquid
MDL:	MFCD00052571
LogP:	0.87800

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
US-11065214-B1	Combination therapies with disulfiram	20200918
JP-2021106518-A	A freshly scented or enhancer, a food or drink or seasoning containing the freshly scented or enhancer, and a method for producing the food or drink or seasoning.	20191227
WO-2021118529-A1	Three-dimensional printing with scent agents	20191210
JP-2021078398-A	Beer taste beverage	20191118

PMID	Publication Date	Title	Journal
12220266	20020901	Isolation, cloning and expression of a multifunctional O-methyltransferase capable of forming 2,5-dimethyl-4-methoxy-3(2H)-furanone, one of the key aroma compounds in strawberry fruits	The Plant journal : for cell and molecular biology

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Related Functional Groups

Furans

[438222-01-6]
5-[(2-Isopropyl-5-methylphenoxy)methyl]-2-furohydrazide
[438218-12-3]
5-[(2-Methoxyphenoxy)methyl]furan-2-carbaldehyde
[1184060-24-9]
5-[(4-Aminophenoxy)methyl]furan-2-carboxylic acid
[438220-93-0]
5-[(Pentachlorophenoxy)methyl]-2-furaldehyde
[937598-55-5]
6-(Furan-2-yl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide
[893645-73-3]
6-(Furan-2-yl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H226 (10.76%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.052429494
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	112.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8