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Merck

418102

Butyraldehyde

purified by redistillation, ≥99.5%

Synonym(s):

Butanal

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About This Item

Linear Formula:
CH3CH2CH2CHO
CAS Number:
123-72-8
Molecular Weight:
72.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24866205
EC Number:
204-646-6
Beilstein/REAXYS Number:
506061
MDL number:
MFCD00007023
Assay:
≥99.5%
Form:
liquid

Key Documents

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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

≥99.5%

form

liquid

autoignition temp.

390 °F

purified by

redistillation

expl. lim.

12.5 %

refractive index

n20/D 1.380 (lit.)

bp

75 °C (lit.)

mp

−96 °C (lit.)

density

0.8 g/mL at 25 °C (lit.)

functional group

aldehyde

organoleptic

pungent

Quality Level

200

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Application

Butyraldehyde can be used as a reactant in the:
  • Reductive amination of various nitroarene derivatives to synthesize mono-N-alkylated aniline derivatives.
  • Ionic liquid-catalyzed Knoevenagel condensation with active methylene compounds to synthesize substituted electrophilic alkenes.
  • NiCl2-catalyzed synthesis of α-aminonitriles by reacting with amines and trimethylsilyl cyanides.

General description

Butyraldehyde, also known as Butanal, is an aliphatic aldehyde, that is commonly used as a versatile building block in various organic reactions, such as in the synthesis of diverse C4–C8 alcohols, esters, amines, and carboxylic acids.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

hcodes

H225,H319

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

flash_point_f

12.2 °F - closed cup

flash_point_c

-11 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN6724
SHBN4322
SHBN2490
SHBM4372
SHBK7310

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Self-condensation of n-butyraldehyde over solid base catalysts.
Tsuji H, et al.
J. Catal., 148(2), 759-770 (1994)
Aldol addition of butyraldehyde over solid base catalysts.
Zhang G, et al.
Bulletin of the Chemical Society of Japan, 62(6), 2070-2072 (1989)
Heterogeneous photocatalytic oxidation of gas-phase organics for air purification: acetone, 1-butanol, butyraldehyde, formaldehyde, and m-xylene oxidation.
Peral J and Ollis DF.
J. Catal., 1136(2), 554-565 (1992)
The condensation of butyraldehyde and aniline.
Kharasch MS, et al.
Journal of the American Chemical Society, 62(3), 494-497 (1940)
N Gregory et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 44(8), 1223-1227 (2006-03-17)
Bovine soles and shavings from the heel were used in laboratory tests that examined the softening and swelling effects of rainwater, cow slurry (faeces plus urine), urine, silage effluent, and washings from recently laid concrete. Formalin, glutaraldehyde and butyraldehyde were
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