W222011

Isobutyraldehyde

natural, 96%, FG

• Synonym(s): 2-Methylpropanal, 2-Methylpropionaldehyde
• Linear Formula: (CH₃)₂CHCHO
• CAS Number: 78-84-2
• Molecular Weight: 72.11
• FEMA Number: 2220
• Council of Europe no.: 92c
• UNSPSC Code: 12164502
• PubChem Substance ID: 24900933
• Flavis number: 5.004
• EC Number: 201-149-6
• NACRES: NA.21
• MDL number: MFCD00006980
• Beilstein/REAXYS Number: 605330
• Organoleptic: cocoa; pungent; brown
• Grade: FG, Fragrance grade, Halal, Kosher, natural
• Agency: follows IFRA guidelines
• Food allergen: no known allergens

Properties

• Quality Segment: 300, 400
• grade: FG, Fragrance grade, Halal, Kosher, natural
• agency: follows IFRA guidelines
• reg. compliance: EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117
• vapor density: 2.5 (vs air)
• vapor pressure: 66 mmHg ( 4.4 °C)
• assay: 96%
• autoignition temp.: 384 °F
• expl. lim.: 10 %, 25 °F, 2 %, 32 °F
• greener alternative product characteristics: Less Hazardous Chemical Syntheses; Use of Renewable Feedstocks; Learn more about the Principles of Green Chemistry.
• refractive index: n20/D 1.374 (lit.)
• bp: 63 °C (lit.)
• mp: −65 °C (lit.)
• solubility: 60 g/L at 25 °C
• density: 0.79 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
• greener alternative category: Aligned
• organoleptic: cocoa; pungent; brown
• SMILES string: [H]C(=O)C(C)C
• InChI: 1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
• InChI key: AMIMRNSIRUDHCM-UHFFFAOYSA-N

Description

General description

We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product is a Biobased products, showing key improvements in Green Chemistry Principles “Less Hazardous Chemical Syntheses” and “Use of Renewable Feedstock”.

Application

• Efficient total synthesis of pulchellalactam, a CD45 protein tyrosine phosphatase inhibitor.: Discusses a synthetic route involving isobutyraldehyde for developing inhibitors that have potential applications in biochemistry and medical research (Li WR et al., 2002).

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H319
• pcodes: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk: WGK 1
• flash_point_f: -11.2 °F - closed cup
• flash_point_c: -24 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves