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49350

Sigma-Aldrich

Tetrabutylammonium glutaconaldehyde enolate hydrate

≥97.0% (T)

Synonym(s):

2-Pentenedial tetrabutylammonium salt, 5-Hydroxy-2,4-pentadienal tetrabutylammonium salt, Glutaconaldehyde tetrabutylammonium salt

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About This Item

Linear Formula:
[CH3CH2CH2CH2)4N(OCH=CHCH=CHCHO) · xH2O
Molecular Weight:
339.56 (anhydrous basis)
MDL number:
MFCD18909672
UNSPSC Code:
12352114
PubChem Substance ID:
57651182
NACRES:
NA.22

Assay

≥97.0% (T)

mp

107-110 °C

SMILES string

O.[O-]\C=C\C=C\C=O.CCCC[N+](CCCC)(CCCC)CCCC

InChI

1S/C16H36N.C5H6O2.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;6-4-2-1-3-5-7;/h5-16H2,1-4H3;1-6H;1H2/q+1;;/p-1/b;3-1+,4-2+;

InChI key

PVRWOPYOUJDSKI-PXBPUWEMSA-M

Other Notes

The glutaconaldehyde anion serves as an interesting intermediate for the synthesis of various heterocyclic compounds

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCBB6741V
BCBB9542V
BCBB9542
BCBB6741
017339/1

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J. Becher
Synthesis, 589-589 (1980)

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