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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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
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
新产品
此项目有
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)
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
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
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
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