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Merck

M33476

2-Methylbutyraldehyde

95%

Synonym(s):

α-Methyl-n-butanal, α-Methylbutanal, α-Methylbutyric aldehyde, (±)-2-Methylbutanal, 2-Ethylpropanal, 2-Formylbutane, 2-Methylbutanal

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About This Item

Linear Formula:
C2H5CH(CH3)CHO
CAS Number:
96-17-3
Molecular Weight:
86.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24896832
EC Number:
202-485-6
Beilstein/REAXYS Number:
1633540
MDL number:
MFCD00006984
Assay:
95%
Form:
liquid

Key Documents

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InChI key

BYGQBDHUGHBGMD-UHFFFAOYSA-N

InChI

1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3

SMILES string

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

assay

95%

form

liquid

refractive index

n20/D 1.3919 (lit.)

bp

90-92 °C (lit.)

density

0.806 g/mL at 20 °C, 0.804 g/mL at 25 °C (lit.)

Quality Level

100

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Application

2-Methylbutyraldehyde can be used as a reactant to synthesize:
  • 2-amino-3-cyanopyridine derivatives via multicomponent condensation with various acetophenones and malononitrile in the presence of ammonium acetate.
  • N,N-Diethyl-2-methyl-1-butanamine by reacting with diethylamine via Rh-catalyzed reductive amination reaction in the presence of molecular hydrogen.
  • α-(2-Methylbutylidene)benzeneacetonitrile by condensation reaction with benzyl cyanide using tricyclic strong nonionic Lewis bases.

signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

23.0 °F

flash_point_c

-5 °C

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS9985
SHBS1299
SHBR2166
SHBP9960
SHBP6066

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Efficient synthesis of 3-cyano-6-(2-hydroxyphenyl) pyridines by multi-component condensations on beads
Shintani T, et al.
Tetrahedron Letters, 44(35), 6567-6569 (2003)
Rhodium-Catalysed Reductive Amination for the Synthesis of Tertiary Amines
Bianga J, et al.
Advanced Synthesis & Catalysis, 362(20), 4415-4424 (2020)
Rhodium-Catalysed Reductive Amination for the Synthesis of Tertiary Amines
Bianga J, et al.
advanced synthesis and catalysis, 362(20), 4415-4424 (2020)
Direct synthesis of α ,β-unsaturated nitriles catalyzed by nonionic superbases
D'Sa Bosco A, et al.
The Journal of Organic Chemistry, 63(12), 3961-3967 (1998)
Yunzi Feng et al.
Food chemistry, 187, 44-52 (2015-05-16)
Aroma extract dilution analysis (AEDA) is widely used for the screening of aroma-active compounds in gas chromatography-olfactometry (GC-O). In this study, three aroma dilution methods, (I) using different test sample volumes, (II) diluting samples, and (III) adjusting the GC injector
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