5-(Hydroxymethyl)furfural
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5-(Hydroxymethyl)furfural
structure -
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CAS No:
67-47-0
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Formula:
C6H6O3
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Chemical Name:
5-(Hydroxymethyl)furfural
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Synonyms:
2-Furancarboxaldehyde,5-(hydroxymethyl)-;2-Furaldehyde,5-(hydroxymethyl)-;5-(Hydroxymethyl)-2-furancarboxaldehyde;HMF;5-Hydroxymethyl-2-formylfuran;5-Hydroxymethylfuraldehyde;5-(Hydroxymethyl)-2-furaldehyde;5-(Hydroxymethyl)-2-furancarbonal;5-(Hydroxymethyl)-2-furfural;5-(Hydroxymethyl)furfural;5-Oxymethylfurfurole;5-(Hydroxymethyl)-2-furfuraldehyde;5-Hydroxymethylfuran-2-aldehyde;Hydroxymethylfurfuraldehyde;5-Hydroxymethylfurfuraldehyde;2-Hydroxymethyl-5-furfural;Hydroxymethylfurfuralaldehyde;Hydroxymethylfurfural;NSC 40738;5-Hydroxymethylfurfurol;2-Formyl-5-hydroxymethylfuran;5-(Hydroxymethyl)furancarboxaldehyde;Aes 103;Hydroxymethylfuraldehyde;BAX 555;5-Hmf;76330-16-0
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CAS No:
Description
5-(Hydroxymethyl)furan-2-carbaldehyde, derived from lignocellulosic biomass, inhibits yeast growth and fermentation as stressors.
Characteristics
50.4
-0.6
Light yellow to yellow Liquid or Crystalline Powder and/or Chunks
1.2062 g/cu cm at 25 deg C
31.5 °C
115 °C
175 °F
1.563
soluble in water, alcohol, ethyl acetate, acetone, dimethylformamide, benzene, ether and chloroform.
2-8°C
5.28X10-3 mm Hg at 25 deg C (est)
LD50 orally in Rabbit: 2500 mg/kg
Odor of chamomile flowers
Butter, caramel, musty
Safety Information
III
NONH for all modes of transport
2
36/37/38-52/53
26-36-24/25
LT7031100
Xi
Light Sensitive, Very Hygroscopic
P280-P304 + P340 + P312-P305 + P351 + P338-P337 + P313
H315-H319-H335
5-(Hydroxymethyl)furfural Use and Manufacturing
As an indicator for excess heat-treatment in sugar-containing food.
Computed Properties
Molecular Weight:126.11
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:126.031694049
Monoisotopic Mass:126.031694049
Topological Polar Surface Area:50.4
Heavy Atom Count:9
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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