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Merck
CN

241962

Sigma-Aldrich

2,3-戊二酮

97%

别名:

乙酰基丙酰

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About This Item

线性分子式:
CH3CH2COCOCH3
CAS号:
分子量:
100.12
Beilstein:
1699638
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

质量水平

方案

97%

折射率

n20/D 1.404 (lit.)

沸点

110-112 °C (lit.)

mp

−52 °C (lit.)

密度

0.957 g/mL at 25 °C (lit.)

官能团

ketone

储存温度

2-8°C

SMILES字符串

CCC(=O)C(C)=O

InChI

1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3

InChI key

TZMFJUDUGYTVRY-UHFFFAOYSA-N

基因信息

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一般描述

2,3-戊二酮(乙酰基丙酰基)是谷物咖啡酿造过程中产生的具有香气的活性化合物之一

应用

2,3-戊二酮可用作合成以下物质的反应物:
  • 与酚类进行酸催化缩合反应合成的双酚衍生物。
  • 在还原条件下与苯胺进行钯催化反应合成的2-乙基-3-甲基-1H-吲哚。
  • 以柠檬酸为催化剂,与 苯二胺进行缩合反应合成的2-乙基-3-甲基喹喔啉。

警示用语:

Danger

危险声明

危险分类

Flam. Liq. 2 - Skin Sens. 1B - STOT RE 2

储存分类代码

3 - Flammable liquids

WGK

WGK 1

闪点(°F)

66.2 °F - open cup

闪点(°C)

19 °C - open cup

个人防护装备

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

危险化学品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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International Journal of ChemTech Research, 5(1), 422-429 (2013)
Małgorzata A Majcher et al.
Journal of agricultural and food chemistry, 61(11), 2648-2654 (2013-02-19)
Cereal coffee is a coffee substitute made mainly from roasted cereals such as barley and rye (60-70%), chicory (15-20%), and sugar beets (6-10%). It is perceived by consumers as a healthy, caffeine free, non-irritating beverage suitable for those who cannot
Regioselective synthesis of renewable bisphenols from 2, 3-pentanedione and their application as plasticizers
Schutyser W, et al.
Green Chemistry, 16(4), 1999-2007 (2014)
[(S)-BINAP] PdBr2-catalyzed direct synthesis of 2, 3-disubstituted indoles via a tandem reaction between arylamines and α-diketones
Cabrera A, et al.
Tetrahedron Letters, 52(50), 6758-6762 (2011)
Yeongkwon Son et al.
International journal of environmental research and public health, 17(16) (2020-08-09)
Health impacts of electronic cigarette (e-cigarette) vaping are associated with the harmful chemicals emitted from e-cigarettes such as carbonyls. However, the levels of various carbonyl compounds under real-world vaping conditions have been understudied. This study evaluated the levels of carbonyl

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