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About This Item
Linear Formula:
CH3CH2CH2CHO
CAS Number:
Molecular Weight:
72.11
Beilstein:
506061
EC Number:
MDL number:
UNSPSC Code:
12352114
PubChem Substance ID:
NACRES:
NA.21
Assay:
≥99.0%
bp:
75 °C (lit.)
vapor pressure:
90 mmHg ( 20 °C)
Recommended Products
vapor density
2.5 (vs air)
Quality Level
vapor pressure
90 mmHg ( 20 °C)
Assay
≥99.0%
autoignition temp.
390 °F
expl. lim.
12.5 %
impurities
≤0.30% (water)
refractive index
n20/D 1.380 (lit.)
bp
75 °C (lit.)
mp
−96 °C (lit.)
solubility
water: soluble 50 g/L at 20 °C
density
0.8 g/mL at 25 °C (lit.)
SMILES string
[H]C(=O)CCC
InChI
1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
InChI key
ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
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General description
Butyraldehyde (n-Butyraldehyde), an aliphatic aldehyde, can be synthesized by dehydrogenation of butanol in the presence of zinc catalyst. It is an important precursor for preparing polyvinylbutyral. The mechanism of pyrolysis of butyraldehyde in the gas-phase has been described. The kinetic study of the condensation reaction between butyraldehyde and poly(vinyl alcohol) indicates retardation effect.
Application
Butyraldehyde (n-Butyraldehyde) may be used in the preparation of 2-ethylhexanal (2EH) via hydrogenation in the presence of tetraamine palladium(II) chloride supported on the potassium ion-exchanged zeolite X (Pd/KXW) and on the potassium ion-added zeolite X (Pd/KXU).
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2
Storage Class Code
3 - Flammable liquids
WGK
WGK 1
Flash Point(F)
<50.0 °F - Pensky-Martens closed cup
Flash Point(C)
< 10 °C - Pensky-Martens closed cup
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The stepwise and concerted pathways for the McLafferty rearrangement of the radical cations of butanal (Bu(+)) and 3-fluorobutanal (3F-Bu(+)) are investigated with density functional theory (DFT) and ab initio methods in conjunction with the 6-311+G(d,p) basis set. A concerted transition
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