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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:
123-73-9
分子量:
70.09
MDL號碼:
MFCD00007003
分類程式碼代碼:
12352100
PubChem物質ID:
24855882
NACRES:
NA.22
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蒸汽密度

2.41 (vs air)

品質等級

200

蒸汽壓力

32 mmHg ( 20 °C)

化驗

≥99%

形狀

liquid

自燃溫度

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.)

bp

104 °C (lit.)

mp

−76 °C (lit.)

溶解度

water: soluble 425.4 g/L at 20 °C

密度

0.846 g/mL at 25 °C (lit.)

官能基

aldehyde

儲存溫度

2-8°C

SMILES 字串

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

InChI

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

InChI 密鑰

MLUCVPSAIODCQM-NSCUHMNNSA-N

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一般說明

测定了巴豆醛与氯原子反应的速率系数 [1]。巴豆醛与 DNA 的反应已被研究过 [2]。

應用

  • 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）。

訊號詞

Danger

危險分類

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

標靶器官

Respiratory system

儲存類別代碼

3 - Flammable liquids

水污染物質分類（WGK）

WGK 3

閃點（°F）

48.2 °F - closed cup

閃點（°C）

9 °C - closed cup

個人防護裝備

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

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
BCCM9018
BCCM6770
BCCM6769
BCCM0229
BCCM0228

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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)
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
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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Questions

  1. What does "predominantly trans" mean for product 262668? Is there any guidance available on the amount of trans compared to cis?

    1 answer

    1. In this case, the term "predominantly trans" is not specifically defined, but based on analysis of previous lots, it appears to be between 95% and 98% trans. While this cannot be guaranteed for future lots, historical data suggests this range. It could be a helpful estimation to consider.

      Helpful?

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