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Sigma-Aldrich

trans-4-(Dimethylamino)-3-buten-2-one

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Linear Formula:
(CH3)2NCH=CHCOCH3
CAS Number:
Molecular Weight:
113.16
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

refractive index

n20/D 1.557 (lit.)

bp

101-102 °C/5 mmHg (lit.)

density

0.973 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

[H]\C(=C(\[H])C(C)=O)N(C)C

InChI

1S/C6H11NO/c1-6(8)4-5-7(2)3/h4-5H,1-3H3/b5-4+

InChI key

QPWSKIGAQZAJKS-SNAWJCMRSA-N

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This Item
529141487406474819
vibrant-m

487406

4-Methoxybenzyl isocyanate

vibrant-m

474819

Benzyl 2-bromoethyl ether

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

bp

101-102 °C/5 mmHg (lit.)

bp

219 °C (lit.)

bp

60-66 °C/0.6 mmHg (lit.)

bp

254 °C (lit.)

refractive index

n20/D 1.557 (lit.)

refractive index

n20/D 1.511 (lit.)

refractive index

n20/D 1.433 (lit.)

refractive index

n20/D 1.541 (lit.)

storage temp.

2-8°C

storage temp.

-

storage temp.

2-8°C

storage temp.

-

density

0.973 g/mL at 25 °C (lit.)

density

-

density

1.143 g/mL at 25 °C (lit.)

density

1.36 g/mL at 25 °C (lit.)

General description

trans-4-(Dimethylamino)-3-buten-2-one is an α,β-unsaturated ketone. Its enthalpy of vaporization at boiling point (474.25K) is 41.416kjoule/mol.

Application

trans-4-(Dimethylamino)-3-buten-2-one may be used in the preparation of 1,3,5-triacetylbenzene.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

225.0 °F - closed cup

flash_point_c

107.2 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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1,3,5-Triacetylbenzene.
Alaimo PJ, et al.
Organic Syntheses, 87, 192-200 (2010)
Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 528-528 (2014)

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