5-Acetoxymethyl-2-furaldehyde - CAS 10551-58-3

Catalog:	BB001660
Product Name:	5-Acetoxymethyl-2-furaldehyde
CAS:	10551-58-3
Synonyms:	(5-formylfuran-2-yl)methyl acetate

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Computed Properties

IUPAC Name:	(5-formylfuran-2-yl)methyl acetate
Description:	5-Acetoxymethyl-2-furaldehyde (CAS# 10551-58-3) is a useful research chemical used for reduction of off-taste of vinegar.
Molecular Weight:	168.15
Molecular Formula:	C8H8O4
Canonical SMILES:	CC(=O)OCC1=CC=C(O1)C=O
InChI:	InChI=1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3
InChI Key:	QAVITTVTXPZTSE-UHFFFAOYSA-N
Boiling Point:	122 °C / 2 mmHg
Melting Point:	53-55 °C (lit.)
Purity:	95 %
Density:	1.230 g/cm³
Appearance:	Off-white to pale yellow solid
Storage:	Freezer
MDL:	MFCD00003233
LogP:	1.15520

Publication Number	Title	Priority Date
CN-112142936-A	Additive manufacturing rapid prototyping furan resin and preparation method thereof	20200831
CN-112830916-A	Preparation method of 2, 5-furandicarboxylic acid under mild condition	20200702
CN-112830916-B	Preparation method of 2, 5-furandicarboxylic acid under mild condition	20200702
EP-3838891-A1	Aldimines and uses thereof	20191219
KR-102287108-B1	Method For Manufacturing 2,5-Furan dicarboxylic acid using 5-Acetoxymethyl-2-furaldehyde	20191209

PMID	Publication Date	Title	Journal
32434851	20200701	5-Hydroxymethyl-Furfural and Structurally Related Compounds Block the Ion Conductance in Human Aquaporin-1 Channels and Slow Cancer Cell Migration and Invasion	Molecular pharmacology
22429085	20120401	Effect of maturity stage and storage on flavor compounds and sensory description of berrycactus (Myrtillocactus geometrizans)	Journal of food science
21147335	20110115	Effectiveness of different solid-phase microextraction fibres for differentiation of selected Madeira island fruits based on their volatile metabolite profile--identification of novel compounds	Talanta
18537835	20081001	Removal of phytotoxic compounds from torrefied grass fibres by plant-beneficial microorganisms	FEMS microbiology ecology

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[55441-25-3]
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.04225873
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.04225873
Rotatable Bond Count:	4
Topological Polar Surface Area:	56.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5