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Merck
CN

L2009

乙酰丙酸

98%

别名:

4-氧代戊酸, 4-酮正戊酸

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线性分子式:
CH3COCH2CH2COOH
化学文摘社编号:
分子量:
116.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
204-649-2
Beilstein/REAXYS Number:
506796
MDL number:
Assay:
98%
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InChI key

JOOXCMJARBKPKM-UHFFFAOYSA-N

InChI

1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)

SMILES string

CC(=O)CCC(O)=O

vapor pressure

1 mmHg ( 102 °C)

assay

98%

bp

245-246 °C (lit.)

mp

30-33 °C (lit.)

density

1.134 g/mL at 25 °C (lit.)

Quality Level

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Application

乙酰丙酸是合成有用中间体如 γ-丙内酯、乙酰丙酸乙酯、戊酸和 2-甲基四氢呋喃的前提。 乙酰丙酸的衍生化和酯化产生了潜在的生物燃料。

它还可用于:
  • 合成 5-羟甲基糠醛和糠醛的催化复合物的制备。
  • 一种商品香料——油石的合成。
  • 吡咯烷酮衍生物通过还原胺化。
  • 分枝杆菌阿拉伯半乳聚糖的全合成。

pictograms

CorrosionExclamation mark

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Sens. 1

wgk

WGK 2

flash_point_f

208.4 °F - closed cup

flash_point_c

98 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

存储类别

11 - Combustible Solids


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Environmentally benign catalytic process for esterification of renewable levulinic acid to various alkyl levulinates biodiesel.
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Environmental Progress & Sustainable Energy, 34(3), 795-801 (2015)
Catalytic transformation of lignocellulose into chemicals and fuel products in ionic liquids.
Zhang Z, et al.
Chemical Reviews, 117(10), 6834-6880 (2016)
Selective and Efficient Iridium Catalyst for the Reductive Amination of Levulinic Acid into Pyrrolidones.
Wang S, et al.
ChemSusChem, 10(21), 4150-4154 (2017)
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ChemSusChem, 12(4), 924-934 (2018-12-15)
Homogeneous (HCl) and heterogeneous catalysts (various zeolites) were combined to enhance the upgrading of glucose into two different platform molecules: 5-hydroxymethylfurfural (HMF) and levulinic acid (LA). β-Zeolite was the most active material for the glucose isomerization to fructose, improving also

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