538205
异丁醛
dry, 98%
别名:
2-甲基丙醛
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线性分子式:
(CH3)2CHCHO
化学文摘社编号:
分子量:
72.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
201-149-6
Beilstein/REAXYS Number:
605330
MDL number:
Assay:
98%
InChI key
AMIMRNSIRUDHCM-UHFFFAOYSA-N
InChI
1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
SMILES string
[H]C(=O)C(C)C
vapor density
2.5 (vs air)
vapor pressure
66 mmHg ( 4.4 °C)
assay
98%
autoignition temp.
384 °F
expl. lim.
10 %, 25 °F, 2 %, 32 °F
Quality Level
bp
63 °C (lit.)
mp
−65 °C (lit.)
solubility
60 g/L at 25 °C
density
0.79 g/mL at 25 °C (lit.)
functional group
aldehyde
storage temp.
2-8°C
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General description
Isobutyraldehyde is an α,α-disubstituted aldehyde. 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. Enantioenriched γ-nitroaldehydes are obtained from the conjugate addition reaction between isobutyraldehyde with nitroalkenes in the presence of chiral organocatalysts.
Application
Isobutyraldehyde may be used in the synthesis of the following compounds:
- N-cyclohrxyl-α-dimethylaminoisovalerarnide
- N′-cyclohexyl-N,N-dimethyl-α-dimethylaminoisovaleramidine
- α-acetoxy-N-cyclohexylisovaleramide
- acetic anhydride
- N-cyclohexyl-a-formyloxyisovaleramide
- cyclic carbonates
- hydroxypivaldehyde, which is useful for the preparation of neopentyl glycol (NPG)
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2
存储类别
3 - Flammable liquids
wgk
WGK 1
flash_point_f
-11.2 °F - closed cup
flash_point_c
-24 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves
法规信息
危险化学品
此项目有
Reactions of cyclohexylisonitrile and isobutyraldehyde with various nucleophiles and catalysts.
McFarland JW.
The Journal of Organic Chemistry, 28(9), 2179-2181 (1963)
Cross-Aldol condensation of isobutyraldehyde and formaldehyde using phase transfer catalyst.
Hashmi A.
Journal of Saudi Chemical Society (2013)
Enantioselective Michael addition of isobutyraldehyde to nitroalkenes organocatalyzed by chiral primary amine-guanidines.
Avila A, et al.
Tetrahedron Asymmetry, 25(5), 462-467 (2014)
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
Gabriel M Rodriguez et al.
Microbial cell factories, 11, 90-90 (2012-06-27)
Increasing global demand and reliance on petroleum-derived chemicals will necessitate alternative sources for chemical feedstocks. Currently, 99% of chemical feedstocks are derived from petroleum and natural gas. Renewable methods for producing important chemical feedstocks largely remain unaddressed. Synthetic biology enables
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