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Merck
CN

W364607

3-Methyl-2-butenal

97%

Synonym(s):

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

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About This Item

Linear Formula:
(CH3)2C=CHCHO
CAS Number:
Molecular Weight:
84.12
Flavis number:
5.124
PubChem Substance ID:
UNSPSC Code:
12164502
FEMA Number:
3646
EC Number:
203-527-6
MDL number:
Beilstein/REAXYS Number:
1734740
Organoleptic:
cherry
Biological source:
synthetic
Food allergen:
no known allergens
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refractive index

n20/D 1.462

bp

133-135 °C (lit.)

density

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

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

cherry

storage temp.

2-8°C

InChI

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

InChI key

SEPQTYODOKLVSB-UHFFFAOYSA-N

SMILES string

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

biological source

synthetic

vapor pressure

7 mmHg ( 20 °C)

assay

97%

Quality Level

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General description

3-Methyl-2-butenal is a volatile α,β-unsaturated aldehyde that occurs naturally in Psidium salutare fruit, Asarum canadense essential oil and baked potatoes.

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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

WGK 1

ppe

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

Regulatory Information

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Isolation and identification of volatile compounds from baked potatoes.
Coleman EC, et al.
Journal of Agricultural and Food Chemistry, 29(1), 42-48 (1981)
Composition of the essential oil from Asarum canadense.
Motto MG & Secord NJ.
Journal of Agricultural and Food Chemistry, 33(5), 789-791 (1985)
Volatile compounds of Psidium salutare (HBK) Berg. fruit.
Pino JA, et al.
Journal of Agricultural and Food Chemistry, 50(18), 5146-5148 (2002)

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