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5-Hydroxymethylfurfural

CAS 67-47-0C6H6O3MW 126.11

5-Hydroxymethylfurfural(CAS 67-47-0):分子式 C6H6O3、分子量 126.11;类别 有机化学品。

规格参数

CAS号67-47-0
分子式C6H6O3
分子量126.11
熔点31.5 °C
沸点BP: 115 °C at 1 mm Hg
LogP-0.6
类别Organic Chemicals

采购档案

这个产品是什么

5-Hydroxymethylfurfural 是一种以碳骨架为基础的有机化合物,登记 CAS 号为 67-47-0,分子式 C6H6O3(分子量 126.11),归属于有机化学品大类化工原料。

识别信息

登记 CAS 号:67-47-0

其分子式 C6H6O3 由 6 个碳、6 个氢、3 个氧 组成。

别名/同义词:5-Hydroxymethylfurfural · 5-Hydroxymethyl-2-furaldehyde

所属分类:有机化学品

常见问题

5-Hydroxymethylfurfural 的 CAS 号是多少?

5-Hydroxymethylfurfural 的 CAS 登记号为 67-47-0。

5-Hydroxymethylfurfural 的分子式与分子量是多少?

分子式 C6H6O3,分子量 126.11。

5-Hydroxymethylfurfural 还有哪些别名?

别名/同义词:5-Hydroxymethylfurfural、5-Hydroxymethyl-2-furaldehyde。

5-Hydroxymethylfurfural 属于哪个分类?

所属分类:Organic Chemicals。

PubChem 公开数据

5-Hydroxymethylfurfural(CAS 67-47-0)的公开数据库记录,列此仅供独立核对。

危险化学品分类与危害说明

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]

法规与备案状态

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

物理形态与操作说明

  • 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

公开数据库收录的理化数据

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]

这个物质在各数据库里的编号

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

数据库记载的用途

  • 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.

它在各数据库里的别名

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

计算机算出的分子描述符

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

数据库摘要

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.

数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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