5-羟甲基-2-糠醛

Description

5-Hydroxymethylfurfural · CAS 67-47-0 · C6H6O3. UNII 70ETD81LF0. Boiling Point: BP: 115 °C at 1 mm Hg; Boiling Point: 114.00 to 116.00 °C. @ 1.00 mm Hg; Melting Point: 31.5 °C.

Identification

CAS Registry Number	67-47-0
PubChem CID	237332
Molecular formula	C6H6O3
IUPAC name	5-(hydroxymethyl)furan-2-carbaldehyde
UNII (FDA)	70ETD81LF0

Computed Descriptors

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
Formal Charge	0

Physical & Chemical Properties

Boiling Point	BP: 115 °C at 1 mm Hg
Boiling Point	114.00 to 116.00 °C. @ 1.00 mm Hg
Melting Point	31.5 °C
Melting Point	35 - 35.5 °C
Density	1.2062 g/cu cm at 25 °C
Vapor Pressure	0.00528 [mmHg]

Physical description & handling notes

• Solid with an odor of chamomile flowers; mp = 31.5 deg C; [Merck Index] Beige or yellow hygroscopic solid; mp = 32-35 deg C; [Alfa Aesar MSDS]
• Solid
• Crystalline solid (needles)
• Needles (ethyl ether-petroleum ether)
• Odor of chamomile flowers
• Butter, caramel, musty

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents
GHS notification summary	1.2% (4 / 344)

GHS Hazard Classification

GHS notification summary	1.2% (4 / 344)
Reported hazard statements	H315 (60.2%), H319 (65.1%), H335 (64.2%), H412 (70.9%)

Documented Uses

• Used to make dialdehydes, glycols, ethers, aminoalcohols, and acetals; [Merck Index] A flavoring agent that naturally occurs in some foods and alcoholic beverages; [ExPub: EFSA] Renewable building block for organic syntheses. [HSDB] Formed when sugars such as fructose or glucose are heated in the presence of amino acids, and is ubiquitous in the diet; Also used to make phenol/furfural resins; [NTP]
• In the synthesis of dialdehydes, glycols, ethers, amino alcohols, acetals. Aqueous acid catalyzes ring opening.
• Formation of 5-hydroxymethyl-2-furfuraldehyde can be used as an index of excessive heat treatment and of deteriorative changes in food
• Renewable building block for organic syntheses
• The acid-catalyzed dehydration of hexoses results in the formation of 5-hydroxymethylfurfural (HMF). Fructose and insulin are especially good starting materials.
• ... From fructose or inulin hydrolysates by acid-induced elimination of three molecular equivalents of water.

Synonyms

5-HYDROXYMETHYLFURFURAL; 67-47-0; 5-Hydroxymethyl-2-furaldehyde; 5-(Hydroxymethyl)furfural; 5-(Hydroxymethyl)-2-furaldehyde; 5-Oxymethylfurfurole; Hydroxymethylfurfurole; Hydroxymethylfurfuraldehyde; 5-(Hydroxymethyl)-2-furancarbonal; 2-Furancarboxaldehyde, 5-(hydroxymethyl)-; 5-Hydroxymethylfuran-2-aldehyde; 5-Hydroxymethyl-2-formylfuran; Hydroxymethylfurfuralaldehyde; 2-Hydroxymethyl-5-furfural; 5-hydroxymethyl furfural; 5-(Hydroxymethyl)-2-furfuraldehyde

Frequently Asked Questions

What are the CAS number and molecular formula of 5-Hydroxymethylfurfural?

CAS 67-47-0; molecular formula C6H6O3; molecular weight — g/mol.

What other names is 5-Hydroxymethylfurfural known by?

5-HYDROXYMETHYLFURFURAL, 67-47-0, 5-Hydroxymethyl-2-furaldehyde, 5-(Hydroxymethyl)furfural, 5-(Hydroxymethyl)-2-furaldehyde, 5-Oxymethylfurfurole.

What is the regulatory status of 5-Hydroxymethylfurfural?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents.

Is 5-Hydroxymethylfurfural classified as hazardous?

1.2% of GHS notifications report no hazard classification (4 of 344).

What are the key physical properties of 5-Hydroxymethylfurfural?

Boiling Point: BP: 115 °C at 1 mm Hg; Boiling Point: 114.00 to 116.00 °C. @ 1.00 mm Hg; Melting Point: 31.5 °C; Melting Point: 35 - 35.5 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.