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110094

Sigma-Aldrich

2-Ethylbutyraldehyde

≥92%

Synonym(s):

2-Ethylbutanal

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About This Item

Linear Formula:
(C2H5)2CHCHO
CAS Number:
97-96-1
Molecular Weight:
100.16
Beilstein/REAXYS Number:
1209330
EC Number:
202-623-5
MDL number:
MFCD00006985
UNSPSC Code:
12352100
PubChem Substance ID:
24846958
NACRES:
NA.22

assay

≥92%

refractive index

n20/D 1.402 (lit.)

bp

117 °C (lit.)

density

0.814 g/mL at 25 °C (lit.)

SMILES string

CCC(CC)C=O

InChI

1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3

InChI key

UNNGUFMVYQJGTD-UHFFFAOYSA-N

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General description

2-Ethylbutyraldehyde reacts with cyclohexanecarbaldehyde to form homoallylic alcohols.

Application

2-Ethylbutyraldehyde has been used in the preparation of aldoximes using aqueous hydroxylamine.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

69.8 °F - closed cup

flash_point_c

21 °C - closed cup

ppe

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

Certificates of Analysis (COA)

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Highly diastereoselective reactions using masked allylic zinc reagents.
Jones P and Knochel P.
Chemical Communications (Cambridge, England), 21, 2407-2408 (1998)
Controlling Selectivity in the Consecutive Reaction Network of Aldoxime Hydrogenation to Primary Amines.
Gebauer-Henke E, et al. et al.
Synthesis, 102 null
Noa T Sorbara et al.
Organic & biomolecular chemistry, 17(37), 8618-8627 (2019-09-19)
A rational approach that may be applied to a broad class of enzyme-catalyzed reactions to design enzyme inhibitors affords a powerful strategy, facilitating the development of drugs and/or molecular probes of enzyme mechanisms. A strategy for the development of substrate-product
Yusuke Yamamoto et al.
The Journal of toxicological sciences, 44(9), 585-600 (2019-09-03)
Amino acid derivative reactivity assay (ADRA) has previously been developed as an alternative method to direct peptide reactivity assay (DPRA) to evaluate key event 1 in skin sensitization mechanisms. However, when using alternative methods for skin sensitization, integrated approaches to

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