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5-Hydroxymethylfurfural

CAS 67-47-0C6H6O3MW 126.11

5-Hydroxymethylfurfural (CAS 67-47-0) — formula C6H6O3, molecular weight 126.11; category organic chemicals.

Specifications

CAS Number67-47-0
Molecular FormulaC6H6O3
Molecular Weight126.11
Melting Point31.5 °C
Boiling PointBP: 115 °C at 1 mm Hg
LogP-0.6
CategoryOrganic Chemicals

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What this product is

5-Hydroxymethylfurfural is a carbon-based organic compound with CAS registry number 67-47-0 and molecular formula C6H6O3 (molecular weight 126.11), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 67-47-0

Its molecular formula C6H6O3 comprises 6 C, 6 H, 3 O atoms.

Also known as: 5-Hydroxymethylfurfural · 5-Hydroxymethyl-2-furaldehyde

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 5-Hydroxymethylfurfural?

The CAS registry number of 5-Hydroxymethylfurfural is 67-47-0.

What is the molecular formula and molecular weight of 5-Hydroxymethylfurfural?

Molecular formula C6H6O3, molecular weight 126.11.

What other names is 5-Hydroxymethylfurfural known by?

It is also registered under: 5-Hydroxymethylfurfural, 5-Hydroxymethyl-2-furaldehyde.

Which category does 5-Hydroxymethylfurfural belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for 5-Hydroxymethylfurfural (CAS 67-47-0), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary1.2% (4 / 344)
Reported hazard statementsH315 (60.2%), H319 (65.1%), H335 (64.2%), H412 (70.9%)

This chemical does not meet GHS hazard criteria for 1.2% (4 of 344) of reports.

H315 (60.2%): Causes skin irritation [Warning Skin corrosion/irritation]

Regulatory listings

Regulatory & Food ContactEU Flavoring substances
Flavoring Agents
GHS notification summary1.2% (4 / 344)

Physical description and 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

Reported physical properties

沸点BP: 115 °C at 1 mm Hg
沸点114.00 to 116.00 °C. @ 1.00 mm Hg
熔点31.5 °C
熔点35 - 35.5 °C
密度1.2062 g/cu cm at 25 °C
蒸气压0.00528 [mmHg]

How this substance is indexed

CAS Registry Number67-47-0
PubChem CID237332
分子式C6H6O3
IUPAC 名称5-(hydroxymethyl)furan-2-carbaldehyde
UNII(FDA)70ETD81LF0

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.

Names this substance appears under

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

Computed molecular descriptors

分子量126.11
XLogP3-0.6
氢键供体数1
氢键受体数3
可旋转键数2
精确质量126.031694049
单同位素质量126.031694049
拓扑极性表面积50.4
重原子数9
形式电荷0

Database abstract

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

Source: PubChem / Wikidata; the batch COA governs where values differ.

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