4,5-Dimethyl-2-furaldehyde - CAS 52480-43-0

Name: 4,5-Dimethyl-2-furaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027842
Product Name:	4,5-Dimethyl-2-furaldehyde
CAS:	52480-43-0
Synonyms:	4,5-dimethylfuran-2-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,5-dimethylfuran-2-carbaldehyde
Description:	4,5-Dimethyl-2-furaldehyde (CAS# 52480-43-0) is a useful research chemical.
Molecular Weight:	124.14
Molecular Formula:	C7H8O2
Canonical SMILES:	CC1=C(OC(=C1)C=O)C
InChI:	InChI=1S/C7H8O2/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H3
InChI Key:	JPTPEPVCVXGNJM-UHFFFAOYSA-N
Boiling Point:	208.2 °C at 760 mmHg
Density:	1.016 g/cm³
Appearance:	Colorless to dark yellow liquid
MDL:	MFCD00085030
LogP:	1.70890

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021165991-A1	Metal catalyst and hydrogen gas free approaches for selective reduction of aldehyde to methyl group of different substituted furans	20200219
EP-3645521-A1	HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS	20170629
WO-2019002571-A1	HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF MGLUR5 RECEPTORS	20170629
BR-112019027922-A2	derivatives of heterocyclylmethylidene and their use as mglur5 receptor modulators	20170629
CA-3061245-A1	Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins	20170428

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.052429494
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	124.052429494
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5