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304077

Sigma-Aldrich

3-Methylcrotonaldehyde

97%

Synonym(s):

3,3-Dimethylacrolein, 3,3-Dimethylacrylaldehyde, NSC 149164, Prenal, Senecialdehyde

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About This Item

Linear Formula:
(CH3)2C=CHCHO
CAS Number:
107-86-8
Molecular Weight:
84.12
Beilstein/REAXYS Number:
1734740
EC Number:
203-527-6
MDL number:
MFCD00010291
UNSPSC Code:
12352100
PubChem Substance ID:
24858322
NACRES:
NA.22

vapor pressure

7 mmHg ( 20 °C)

assay

97%

form

liquid

refractive index

n20/D 1.462 (lit.)
n20/D 1.462

bp

133-135 °C (lit.)

solubility

water: soluble 110 g/L at 20 °C

density

0.878 g/mL at 20 °C
0.872 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

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

InChI

1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3

InChI key

SEPQTYODOKLVSB-UHFFFAOYSA-N

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General description

3-Methylcrotonaldehyde is an α, β-unsaturated aldehyde. Electrochemical dimerization of 3-methylcrotonaldehyde was reported. The hydrogenation of 3-methylcrotonaldehyde over Ru, Pt and Rh was investigated.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B - Skin Sens. 1

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

91.4 °F - closed cup

flash_point_c

33 °C - closed cup

ppe

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Electrochemical dimerization of 3-methylcrotonaldehyde.
Mandell L, et al.
The Journal of Organic Chemistry, 36(12), 1683-1685 (1971)
Geometric and electronic effects in the selective hydrogenation of a, ?-unsaturated aldehydes over zeolite-supported metals.
Blackmond DG, et al.
J. Catal., 131(2), 401-411 (1991)

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