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Merck
CN

240788

异丁醛

≥99%

别名:

2-甲基丙醛

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关于此项目

线性分子式:
(CH3)2CHCHO
化学文摘社编号:
分子量:
72.11
Beilstein:
605330
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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蒸汽密度

2.5 (vs air)

质量水平

蒸汽压

66 mmHg ( 4.4 °C)

方案

≥99%

表单

liquid

自燃温度

384 °F

expl. lim.

10 %, 25 °F
2 %, 32 °F

折射率

n20/D 1.374 (lit.)

沸点

63 °C (lit.)

mp

−65 °C (lit.)

溶解性

water: soluble 11g/100mL at 20 °C(lit.)
acetone: miscible(lit.)
benzene: miscible(lit.)
carbon disulfide: miscible(lit.)
chloroform: miscible(lit.)
diethyl ether: miscible(lit.)
ethanol: miscible(lit.)
toluene: miscible(lit.)

密度

0.79 g/mL at 25 °C (lit.)

官能团

aldehyde

储存温度

2-8°C

SMILES字符串

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

InChI

1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

InChI key

AMIMRNSIRUDHCM-UHFFFAOYSA-N

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一般描述

异丁醛与 β-硝基烯烃发生不对称 Michael 加成反应得到四元含碳的硝基烷烃

应用

异丁醛(2-甲基丙醛)用于异丁醇(2-甲基丙醇)的微生物合成

象形图

FlameExclamation mark

警示用语:

Danger

危险声明

危险分类

Eye Irrit. 2 - Flam. Liq. 2

储存分类代码

3 - Flammable liquids

WGK

WGK 1

闪点(°F)

-11.2 °F - closed cup

闪点(°C)

-24 °C - closed cup

个人防护装备

Eyeshields, Faceshields, Gloves

法规信息

危险化学品
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分析证书(COA)

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Journal of biotechnology, 164(2), 188-195 (2012-09-15)
We have determined the X-ray crystal structures of the NADH-dependent alcohol dehydrogenase LlAdhA from Lactococcus lactis and its laboratory-evolved variant LlAdhA(RE1) at 1.9Å and 2.5Å resolution, respectively. LlAdhA(RE1), which contains three amino acid mutations (Y50F, I212T, and L264V), was engineered
P Bustillo Trueba et al.
Journal of chromatography. A, 1604, 460467-460467 (2019-08-28)
This paper describes the method validation for the simultaneous determination of seven cysteinylated aldehydes, i.e. 2-substituted 1,3-thiazolidines-4-carboxylic acids, using ultra-high-performance liquid chromatography-mass spectrometry (UHPLC-MS). Authentic reference compounds were first synthesized for identification and quantification purposes. Moreover, nuclear magnetic resonance (1H
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Journal of chromatography. A, 1612, 460647-460647 (2019-11-27)
Aldehydes originating from malt play an important role in beer flavour deterioration. In order to better understand the influence of malting process on beer staling, it is necessary to acquire a reliable analytical methodology for determination of beer staling aldehydes
Rudy Coquet et al.
Physical chemistry chemical physics : PCCP, 9(45), 6040-6046 (2007-11-16)
The formation and catalytic behavior of active structures in a SiO(2)-supported unsaturated Ru complex catalyst for alkene epoxidation were studied by means of hybrid density functional theory (DFT) calculations. An energy-gaining route for the catalyst activation was found to allow
Christine Counet et al.
Journal of agricultural and food chemistry, 50(8), 2385-2391 (2002-04-04)
After vacuum distillation and liquid-liquid extraction, the volatile fractions of dark chocolates were analyzed by gas chromatography-olfactometry and gas chromatography-mass spectrometry. Aroma extract dilution analysis revealed the presence of 33 potent odorants in the neutral/basic fraction. Three of these had

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