Furaneol - CAS 3658-77-3

Technical Data

IUPAC Name:	4-hydroxy-2,5-dimethylfuran-3-one
Description:	Furan phenol is a derivative of furan, which is used in perfume and perfume industries.
Molecular Weight:	128.1
Molecular Formula:	C6H8O3
Canonical SMILES:	CC1C(=O)C(=C(O1)C)O
InChI:	InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
InChI Key:	INAXVXBDKKUCGI-UHFFFAOYSA-N
Boiling Point:	188 ℃
Melting Point:	73-77 ℃ (lit.)
Flash Point:	90.5ºC
Purity:	> 95 % by HPLC
Density:	1.05 g/cm³
Solubility:	Soluble in Water
Appearance:	White to light yellow crystalline powder
Storage:	Store at -20 ℃
Decomposition:	When heated to decomposition it emits acrid smoke and irritating vapors
MDL:	MFCD00010706
LogP:	0.76370
Refractive Index:	1.435
Stability:	Stable under recommended storage conditions
Vapor Pressure:	0.008 mm Hg at 25 °C

GHS Hazard Statement:	H302 (28.22%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113416739-A	Application of Saccharomyces rouxii gene in improving yield of HDMF (high-density multi-ferule) produced by microorganisms	20210624
CN-113267434-A	Cigarette smoke oral deposition simulation device and method	20210623
CN-113322193-A	Salt-tolerant yeast for increasing content of Sotolone in soy sauce and application thereof	20210518
CN-113317481-A	Aroma composition with salty and fresh increasing characteristics and application thereof	20210514
CN-113355157-A	Tobacco essence capable of increasing fragrance of cigarette jam	20210430

PMID	Publication Date	Title	Journal
22646744	20120620	Glycosidically bound aroma compounds and impact odorants of four strawberry varieties	Journal of agricultural and food chemistry
22542289	20120601	Full evaporation dynamic headspace and gas chromatography-mass spectrometry for uniform enrichment of odor compounds in aqueous samples	Journal of chromatography. A
22515832	20120523	Characterization of the key odorants in raw Italian hazelnuts ( Corylus avellana L. var. Tonda Romana) and roasted hazelnut paste by means of molecular sensory science	Journal of agricultural and food chemistry
22463595	20120418	Comparison of key aroma compounds in five different types of Japanese soy sauces by aroma extract dilution analysis (AEDA)	Journal of agricultural and food chemistry
21873604	20120201	Perceptual blending in odor mixtures depends on the nature of odorants and human olfactory expertise	Chemical senses

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.047344113
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.047344113
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7