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Merck
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文件

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

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.)

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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相关类别

一般說明

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 。

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

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