538191
Butyraldehyde
≥99.0%, dry
Synonym(s):
Butanal
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About This Item
Linear Formula:
CH3CH2CH2CHO
CAS Number:
Molecular Weight:
72.11
UNSPSC Code:
12352114
NACRES:
NA.21
PubChem Substance ID:
EC Number:
204-646-6
Beilstein/REAXYS Number:
506061
MDL number:
Assay:
≥99.0%
Bp:
75 °C (lit.)
Vapor pressure:
90 mmHg ( 20 °C)
InChI key
ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
InChI
1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
SMILES string
[H]C(=O)CCC
vapor density
2.5 (vs air)
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.)
Quality Level
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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).
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.
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2
Storage Class
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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Thermal decomposition products of butyraldehyde.
Hatten CD, et al.
J. Chem. Phys. , 139(21), 214303-214303 (2013)
Kinetic studies on dehydrogenation of butanol to butyraldehyde using zinc oxide as catalyst.
Raizada VK, et al.
Journal of Chemical Technology and Biotechnology, 56(3), 265-270 (1993)
Highly selective Pd/KX catalysts for low-pressure one-step synthesis of 2-ethylhexanal from n-butyraldehyde and hydrogen.
Ko AN, et al.
Catalysis Letters, 54(4), 207-210 (1998)
Retardation effect in acetalization of poly (vinyl alcohol) with butyraldehyde.
Rumyantsev M, et al.
Eur. Polymer J., 49(6), 1698-1706 (2013)
Daniel Norberg et al.
Journal of computational chemistry, 29(3), 392-406 (2007-07-04)
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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