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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:
分子量:
70.09
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
≥99%
Form:
liquid
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InChI

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

SMILES string

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

InChI key

MLUCVPSAIODCQM-NSCUHMNNSA-N

vapor density

2.41 (vs air)

vapor pressure

32 mmHg ( 20 °C)

assay

≥99%

form

liquid

autoignition temp.

320 °F

contains

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

expl. lim.

19.5 %

refractive index

n20/D 1.4362 (lit.)

bp

104 °C (lit.)

mp

−76 °C (lit.)

solubility

water: soluble 425.4 g/L at 20 °C

density

0.846 g/mL at 25 °C (lit.)

functional group

aldehyde

storage temp.

2-8°C

Quality Level

General description

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

Application

  • 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)。

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

存储类别

3 - Flammable liquids

flash_point_f

48.2 °F - closed cup

flash_point_c

9 °C - closed cup

ppe

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

法规信息

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分析证书(COA)

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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)
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)
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
Giorgia Volpi et al.
British journal of pharmacology, 163(3), 649-661 (2011-02-11)
Vascular endothelial growth factor (VEGF) is an angiogenic factor known to be elevated in the sputum of asymptomatic smokers as well as smokers with bronchitis type of chronic obstructive pulmonary disease. The aim of this study was to investigate whether

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