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Merck
CN

W364620

3-Methyl-2-butenal

≥97%, FG

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:
05.124
PubChem Substance ID:
UNSPSC Code:
12164502
FEMA Number:
3646
NACRES:
NA.21
EC Number:
203-527-6
MDL number:
Beilstein/REAXYS Number:
1734740
Organoleptic:
cherry; fruity; nutty; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
Food allergen:
no known allergens
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biological source

synthetic

Quality Level

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002

vapor pressure

7 mmHg ( 20 °C)

assay

≥97%

refractive index

n20/D 1.462 (lit.)

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

fragrance allergen

no known allergens

organoleptic

cherry; fruity; nutty; sweet

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

Application


  • Study on the reaction of 3-methyl-2-butenal and 3-methylbutanal with Cl atoms: kinetics and reaction mechanism.: Focuses on the kinetics and mechanisms of reactions between 3-methyl-2-butenal and chlorine atoms, which are crucial for understanding its stability and reactivity in environmental contexts (Shi et al., 2022).



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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

flash_point_f

91.4 °F - closed cup

flash_point_c

33 °C - closed cup

Regulatory Information

危险化学品

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Global Trade Item Number

SKUGTIN
W364620-SAMPLE-K04061834356707
W364620-25G-K04061834397816
W364620-100G-K04061834366232
W364620-1KG-K04061838093943