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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

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分析证书(COA)

Lot/Batch Number

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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
Eşref Demir et al.
Mutation research, 726(2), 98-103 (2011-07-19)
Lipid-peroxidation products are formed by the thermal treatment of foodstuffs, as well as by endogenous processes. In addition, they are also common environmental pollutants originating from many different sources. Since conflicting data exist on their possible risk for humans, we

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