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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)

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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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

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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)
Thomas W Kensler et al.
Carcinogenesis, 33(1), 101-107 (2011-11-03)
Epidemiological evidence has suggested that consumption of a diet rich in cruciferous vegetables reduces the risk of several types of cancers and chronic degenerative diseases. In particular, broccoli sprouts are a convenient and rich source of the glucosinolate, glucoraphanin, which
Seung Eun Lee et al.
Toxicology letters, 201(3), 240-248 (2011-01-18)
Crotonaldehyde, a highly reactive α, β-unsaturated aldehyde, is a ubiquitous environmental pollutant and a product of endogenous lipid peroxidation. It is also a major component of cigarette smoke and is present in many foods and beverages, and has also been
Organocatalytic asymmetric inverse-electron-demand Diels-Alder reaction of electron-deficient dienes and crotonaldehyde.
Jun-Long Li et al.
Angewandte Chemie (International ed. in English), 49(36), 6418-6420 (2010-07-31)

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