W364620

3-Methyl-2-butenal

≥97%, FG

• Synonym(s): 3-Methylcrotonaldehyde, 3,3-Dimethylacrolein, 3,3-Dimethylacrylaldehyde, NSC 149164, Prenal, Senecialdehyde
• Linear Formula: (CH₃)₂C=CHCHO
• CAS Number: 107-86-8
• Molecular Weight: 84.12
• FEMA Number: 3646
• Beilstein/REAXYS Number: 1734740
• EC Number: 203-527-6
• MDL number: MFCD00010291
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830639
• Flavis number: 05.124
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• 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

Description

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).

Safety Information

• pictograms: GHS02,GHS06,GHS05
• signalword: Danger
• hcodes: H226,H302,H314,H317,H331
• pcodes: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 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