3-methylfuran profile

3-Methylfuran is a heterocyclic organic compound with the formula C4H3CH3O. It is a colorless liquid with a pungent odor. 3-Methylfuran is a valuable building block for the synthesis of various pharmaceuticals, polymers, and fine chemicals. It is also a promising biofuel candidate due to its high energy density and low emissions. The compound is often synthesized through various methods, including the dehydration of 2-pentanol, the catalytic hydrogenation of furfural, and the reaction of furfural with methyl magnesium bromide. 3-Methylfuran has been extensively studied for its potential applications in various fields. Its properties, such as its high boiling point, good stability, and reactivity, make it a suitable candidate for fuel production. Research is ongoing to optimize the synthesis and utilization of 3-methylfuran as a renewable and sustainable energy source. The compound exhibits interesting reactivity and has been explored for various chemical transformations, including oxidation, reduction, and ring opening reactions. Its potential applications in organic synthesis and materials science are being investigated. 3-Methylfuran has also been studied for its biological activity. Some studies suggest potential antimicrobial and antifungal properties, although further research is needed to confirm these effects.'

3-methylfuran: RN given refers to cpd with specified locant for methyl group [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

3-methylfuran : A member of the class of furans that is furan in which the hydrogen at position 3 is replaced by a methyl group. It is a chemical that is produced in foods during food processing and preservation techniques that involve heat treatment such as cooking and pasteurization. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	13587
CHEBI ID	172946
MeSH ID	M0119038

Synonym
CHEBI:172946
4-methylfuran
3-methylfurane
3-methyl-furan
nsc346905
nsc-346905
brn 0104217
nsc 346905
furan, 3-methyl-
inchi=1/c5h6o/c1-5-2-3-6-4-5/h2-4h,1h
3-methylfuran
930-27-8
M0939
A844425
AKOS005255084
5r72a0440n ,
5-17-01-00330 (beilstein handbook reference)
unii-5r72a0440n
GEO-01834
FT-0671790
FT-0616160
DTXSID10239228
mfcd00060134
3-methylfuran, aldrichcpr
W18310
3-methylfuran (stabilized with hq)
3-methylfuran 100 microg/ml in methanol
3-methylfuran (stabilised with hydroquinone)
BBL103814
STL557624
3-methyl furan
3-methylfuran-methyl-d3
Q21099678
GS-0656
EN300-88698

Excerpt	Reference	Relevance
"0 mg/kg bw/day in order to determine the dose range needed to establish a no observed adverse effect level and to better characterize nonneoplastic effects including those affecting hematology, clinical biochemistry, gross morphology, and histopathology."	( A 28-day gavage toxicity study in Fischer 344 rats with 3-methylfuran. Barker, M; Cherry, W; Cooke, GM; Gill, S; Kavanagh, M; Weld, M, 2015)	0.66

Role	Description
environmental contaminant	Any minor or unwanted substance introduced into the environment that can have undesired effects.
fungal metabolite	Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
plant metabolite	Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Aspergillus metabolite	Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus.
Penicillium metabolite	Any fungal metabolite produced during a metabolic reaction in Penicillium.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
furans	Compounds containing at least one furan ring.
volatile organic compound	Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	5 (25.00)	18.7374
1990's	2 (10.00)	18.2507
2000's	3 (15.00)	29.6817
2010's	10 (50.00)	24.3611
2020's	0 (0.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (5.00%)	6.00%
Case Studies	1 (5.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	18 (90.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
carbon monoxide Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas.	2.02	1	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
formaldehyde paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy	2.45	2	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
piperonyl butoxide [no description available]	1.96	1	benzodioxoles	pesticide synergist
texanol Texanol: a paint additive; structure in first source	2.08	1
isoprene isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds.	2.02	1	alkadiene; hemiterpene; volatile organic compound	plant metabolite
3-buten-2-one buten-2-one : A methyl ketone that is butan-2-one with an unsaturation at position 3.	2.02	1	enone; methyl ketone
furaldehyde Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.	2.05	1	aldehyde; furans	Maillard reaction product; metabolite
acrolein [no description available]	2.02	1	enal	herbicide; human xenobiotic metabolite; toxin
pentane Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms.	2.02	1	alkane; volatile organic compound	non-polar solvent; refrigerant
2-methylfuran 2-methylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group.	3.02	4	furans; volatile organic compound	flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite
methyl n-butyl ketone Methyl n-Butyl Ketone: An industrial solvent which causes nervous system degeneration. MBK is an acronym often used to refer to it.. hexanone : A ketone that is a hexane carrying an oxo substituent at unspecified position.	2.08	1	ketone
2,5-dimethylfuran 2,5-dimethylfuran: metabolite of n-hexane. 2,5-dimethylfuran : A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by methyl groups.	7.06	1	furans	antifungal agent; bacterial metabolite; fuel; fumigant; human urinary metabolite; Maillard reaction product; plant metabolite
1-octen-3-ol 1-octen-3-ol: main flavor component of mushrooms; RN given refers to cpd without isomeric designation; bait for insect vectors (tsetse, sandflies, mosquitoes). oct-1-en-3-ol : An alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1-C-2. It is a major volatile compound present in many mushrooms and fungi.	2.08	1	alkenyl alcohol; medium-chain fatty alcohol	antimicrobial agent; fungal metabolite; insect attractant; volatile oil component
2-pentylfuran 2-pentylfuran: structure in first source. 2-pentylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a pentyl group. It is found in many heat-processed foods and drinks.	2.49	2	furans	Aspergillus metabolite; bacterial metabolite; flavouring agent; human urinary metabolite; insect repellent; plant growth stimulator; volatile oil component
alkenes [no description available]	2.06	1
4-ipomeanol 4-ipomeanol: lung-toxic furanoterpenoid produced in moldy sweet potatoes in response to fungus infection; RN given refers to cpd without isomeric designation; structure	3.06	1	aromatic ketone
hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.	2.44	2	oxygen hydride; oxygen radical; reactive oxygen species
5-hydroxymethylfurfural 5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo.	2.05	1	arenecarbaldehyde; furans; primary alcohol	indicator; Maillard reaction product
ergosterol [no description available]	1.98	1	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
strigol strigol: a strigolactone from roots of various PLANTS; it stimulates seed germination of parasitic STRIGA and OROBANCHE; structure in first source. strigol : A strigolactone in which the tricyclic lactone moiety bears a hydroxy substitutuent at the position para to the gem-dimethyl group.	7.11	1	indenofuran; secondary alcohol; strigolactone

Condition	Relationship Strength	Studies
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	3.24	6
Johne Disease [description not available]	2.08	1
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	2.47	2
Sick Building Syndrome A group of symptoms that are two- to three-fold more common in those who work in large, energy-efficient buildings, associated with an increased frequency of headaches, lethargy, and dry skin. Clinical manifestations include hypersensitivity pneumonitis (ALVEOLITIS, EXTRINSIC ALLERGIC); allergic rhinitis (RHINITIS, ALLERGIC, PERENNIAL); ASTHMA; infections, skin eruptions, and mucous membrane irritation syndromes. Current usage tends to be less restrictive with regard to the type of building and delineation of complaints. (From Segen, Dictionary of Modern Medicine, 1992)	2.08	1
Cancer of Lung [description not available]	2.88	1
Lung Neoplasms Tumors or cancer of the LUNG.	2.88	1
Alveolitis, Fibrosing [description not available]	1.96	1
Acute Disease Disease having a short and relatively severe course.	1.96	1
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.	1.96	1
Pulmonary Fibrosis A process in which normal lung tissues are progressively replaced by FIBROBLASTS and COLLAGEN causing an irreversible loss of the ability to transfer oxygen into the bloodstream via PULMONARY ALVEOLI. Patients show progressive DYSPNEA finally resulting in death.	1.96	1
Diseases of Nasopharynx [description not available]	1.96	1
Obstructive Lung Diseases [description not available]	1.99	1
Lung Diseases, Obstructive Any disorder marked by obstruction of conducting airways of the lung. AIRWAY OBSTRUCTION may be acute, chronic, intermittent, or persistent.	1.99	1
Experimental Neoplasms [description not available]	1.96	1
Amyloidosis A group of sporadic, familial and/or inherited, degenerative, and infectious disease processes, linked by the common theme of abnormal protein folding and deposition of AMYLOID. As the amyloid deposits enlarge they displace normal tissue structures, causing disruption of function. Various signs and symptoms depend on the location and size of the deposits.	1.96	1

3-methylfuran

Description

Cross-References

Synonyms (35)

Research Excerpts

Toxicity

Roles (5)

Drug Classes (2)

Research

Studies (20)

Market Indicators

Research Demand Index: 26.40

Study Types