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Merck
CN

262668

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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关于此项目

线性分子式:
CH3CH=CHCHO
化学文摘社编号:
123-73-9
分子量:
70.09
MDL编号:
MFCD00007003
UNSPSC代码:
12352100
PubChem化学物质编号:
24855882
NACRES:
NA.22

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蒸汽密度

2.41 (vs air)

质量水平

200

蒸汽压

32 mmHg ( 20 °C)

方案

≥99%

表单

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.)

沸点

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.)

官能团

aldehyde

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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相关类别

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

储存分类代码

3 - Flammable liquids

WGK

WGK 3

闪点(°F)

48.2 °F - closed cup

闪点(°C)

9 °C - closed cup

个人防护装备

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

法规信息

新产品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
BCCM9019
BCCN3954
BCCN3953
BCCM9018
BCCM6770

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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)
Bi-Cheng Yang et al.
Toxicology letters, 219(1), 26-34 (2013-03-06)
Crotonaldehyde, a highly toxic α, β-unsaturated aldehyde, is a major component of cigarette smoke and a ubiquitous environmental pollutant. Crotonaldehyde exposure is known to have adverse effects on respiratory health, but the underlying mechanisms remain obscure. To examine the interaction
Xing-yu Liu et al.
Toxicology letters, 195(1), 90-98 (2010-02-16)
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
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