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Merck
CN

262668

Sigma-Aldrich

巴豆醛,主要为反式

≥99%, contains 0.1-0.2% BHT as stabilizer, 1% H2O as stabilizer

别名:

(2E)-2-丁烯醛, (E)-2-丁烯-1-醛, 2(E)-丁烯醛, 反式-2-丁烯-1-醛, 反式-2-丁烯醛, 反式巴豆醛

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About This Item

线性分子式:
CH3CH=CHCHO
CAS号:
分子量:
70.09
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

蒸汽密度

2.41 (vs air)

质量水平

蒸汽压

32 mmHg ( 20 °C)

检测方案

≥99%

形式

liquid

自燃温度

320 °F

包含

0.1-0.2% BHT as stabilizer
1% H2O as stabilizer

expl. lim.

19.5 %

折射率

n20/D 1.4362 (lit.)

bp

104 °C (lit.)

mp

−76 °C (lit.)

溶解性

water: soluble 425.4 g/L at 20 °C

密度

0.846 g/mL at 25 °C (lit.)

储存温度

2-8°C

SMILES字符串

[H]\C(C)=C(\[H])C([H])=O

InChI

1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+

InChI key

MLUCVPSAIODCQM-NSCUHMNNSA-N

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一般描述

测定了巴豆醛与氯原子反应的速率系数 。巴豆醛与 DNA 的反应已被研究过

应用

  • 巴豆醛(顺式和反式):通过乙醛醛缩合和催化方法,讨论了巴豆醛的生产和性质,包括反式异构体(Grant & Jenkins, 2015)。
  • 巴豆醛生产过程的建模、仿真和分析:分析巴豆醛的生产,强调立体异构体形式,包括反式巴豆醛(Scheithauer et al., 2016)。

警示用语:

Danger

危险分类

Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Acute 1 - Eye Dam. 1 - Flam. Liq. 2 - Muta. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3

靶器官

Respiratory system

WGK

WGK 3

闪点(°F)

48.2 °F

闪点(°C)

9 °C

个人防护装备

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

法规信息

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F L Chung et al.
Cancer research, 44(3), 990-995 (1984-03-01)
Acrolein reacted with deoxyguanosine at pH 7 and 37 degrees to give three major products, Adducts 1 to 3, which were separated by high-performance liquid chromatography. They were identified by their ultraviolet, mass, and nuclear magnetic resonance spectra, by the
Reactions of acrolein, crotonaldehyde and pivalaldehyde with Cl atoms: structure-activity relationship and comparison with OH and NO3 reactions.
Ullerstam M, et al.
Physical Chemistry Chemical Physics, 3(6), 986-992 (2001)
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Crotonaldehyde is a widespread environmental pollutant and lipid peroxidation product. Crotonaldehyde is a risk factor for many diseases (e.g., chronic pulmonary inflammation). However, its toxicity and its mechanism of action have not been thoroughly investigated. The purpose of this study
Seung Eun Lee et al.
PloS one, 7(7), e41676-e41676 (2012-08-01)
Crotonaldehyde, an alpha, beta-unsaturated aldehyde present in cigarette smoke, is an environmental pollutant and a product of lipid peroxidation. It also produces adverse effects to humans and is considered as a risk factor for various diseases. Heme oxygenase-1 (HO-1) plays
Yasuo Yamauchi et al.
Planta, 231(5), 1077-1088 (2010-02-17)
Previously we observed that the oxygen-evolving complex 33 kDa protein (OEC33) which stabilizes the Mn cluster in photosystem II (PSII), was modified with malondialdehyde (MDA), an end-product of peroxidized polyunsaturated fatty acids, and the modification increased in heat-stressed plants (Yamauchi

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