异丁醛

Name: 异丁醛
Brand: ALDRICH

dry, 98%

同義詞:

2-甲基丙醛

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線性公式:

(CH₃)₂CHCHO

CAS 編號:

78-84-2

分子量：:

72.11

Beilstein:

605330

EC號碼:

201-149-6

MDL號碼:

MFCD00006980

分類程式碼代碼:

12352100

PubChem物質ID:

24878311

NACRES:

NA.22

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蒸汽密度

2.5 (vs air)

品質等級

200

蒸汽壓力

66 mmHg ( 4.4 °C)

化驗

98%

自燃溫度

384 °F

expl. lim.

10 %, 25 °F
2 %, 32 °F

折射率

n20/D 1.374 (lit.)

bp

63 °C (lit.)

mp

−65 °C (lit.)

溶解度

60 g/L at 25 °C

密度

0.79 g/mL at 25 °C (lit.)

官能基

aldehyde

儲存溫度

2-8°C

SMILES 字串

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

InChI

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

InChI 密鑰

AMIMRNSIRUDHCM-UHFFFAOYSA-N

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本產品	W222003	240788	W222011
Sigma-Aldrich 538205 异丁醛	Sigma-Aldrich W222003 异丁醛	Sigma-Aldrich 240788 异丁醛	Sigma-Aldrich W222011 异丁醛
assay 98%	assay ≥98%	assay ≥99%	assay 96%
Quality Level 200	Quality Level 400	Quality Level 200	Quality Level 400
solubility 60 g/L at 25 °C	solubility 60 g/L at 25 °C	solubility 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.)	solubility 60 g/L at 25 °C
refractive index n20/D 1.374 (lit.)	refractive index n20/D 1.374 (lit.)	refractive index n20/D 1.374 (lit.)	refractive index n20/D 1.374 (lit.)
density 0.79 g/mL at 25 °C (lit.)	density 0.79 g/mL at 25 °C (lit.)	density 0.79 g/mL at 25 °C (lit.)	density 0.79 g/mL at 25 °C (lit.)
mp −65 °C (lit.)	mp −65 °C (lit.)	mp −65 °C (lit.)	mp −65 °C (lit.)

一般說明

Isobutyraldehyde is an α,α-disubstituted aldehyde.[1] It is an important raw material for the manufacture of various industrially important chemicals. It may be produced from CO₂ and overexpression of ribulose 1,5-bisphosphate carboxylase/oxygenase employing genetically engineered strain of Synechococcus elongatus PCC7942.[2] Enantioenriched γ-nitroaldehydes are obtained from the conjugate addition reaction between isobutyraldehyde with nitroalkenes in the presence of chiral organocatalysts.[3]

應用

Isobutyraldehyde may be used in the synthesis of the following compounds:

N-cyclohrxyl-α-dimethylaminoisovalerarnide[1]
N′-cyclohexyl-N,N-dimethyl-α-dimethylaminoisovaleramidine[1]
α-acetoxy-N-cyclohexylisovaleramide[1]
acetic anhydride[1]
N-cyclohexyl-a-formyloxyisovaleramide[1]
cyclic carbonates[4]
hydroxypivaldehyde, which is useful for the preparation of neopentyl glycol (NPG)[5]

It may also be employed for the microbial synthesis of isobutanol.[6]

象形圖

GHS02,GHS07

訊號詞

Danger

危險聲明

H225,H319

防範說明

P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338

危險分類

Eye Irrit. 2 - Flam. Liq. 2

儲存類別代碼

3 - Flammable liquids

水污染物質分類（WGK）

WGK 1

閃點（°F）

-11.2 °F - closed cup

閃點（°C）

-24 °C - closed cup

個人防護裝備

Eyeshields, Faceshields, Gloves

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Reactions of cyclohexylisonitrile and isobutyraldehyde with various nucleophiles and catalysts.

McFarland JW.

The Journal of Organic Chemistry, 28(9), 2179-2181 (1963)

Enantioselective Michael addition of isobutyraldehyde to nitroalkenes organocatalyzed by chiral primary amine-guanidines.

Avila A, et al.

Tetrahedron Asymmetry, 25(5), 462-467 (2014)

Cross-Aldol condensation of isobutyraldehyde and formaldehyde using phase transfer catalyst.

Hashmi A.

Journal of Saudi Chemical Society (2013)

Structure-guided engineering of Lactococcus lactis alcohol dehydrogenase LlAdhA for improved conversion of isobutyraldehyde to isobutanol.

Xiang Liu et al.

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

Energy-gaining formation and catalytic behavior of active structures in a SiO(2)-supported unsaturated Ru complex catalyst for alkene epoxidation by DFT calculations.

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

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