W269409

Methyl isobutyrate

99%, FG

• Synonym(s): Methyl 2-methyl propanoate, Methyl 2-methylpropanoate, Methyl 2-methylpropionate, Methylisobutyrate
• Linear Formula: (CH₃)₂CHCOOCH₃
• CAS Number: 547-63-7
• Molecular Weight: 102.13
• FEMA Number: 2694
• Council of Europe no.: 287
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901261
• Flavis number: 9.412
• EC Number: 208-929-5
• NACRES: NA.21
• MDL number: MFCD00008914
• Beilstein/REAXYS Number: 1740720
• Organoleptic: fruity; floral; sweet
• Grade: FG, Fragrance grade, Kosher
• Biological source: synthetic
• Agency: follows IFRA guidelines, meets purity specifications of JECFA
• Food allergen: no known allergens

Properties

• SMILES string: COC(=O)C(C)C
• InChI: 1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
• InChI key: BHIWKHZACMWKOJ-UHFFFAOYSA-N
• biological source: synthetic
• grade: FG, Fragrance grade, Kosher
• agency: follows IFRA guidelines, meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 172.515
• assay: 99%
• Quality Level: 300, 400
• refractive index: n20/D 1.384 (lit.)
• bp: 90 °C (lit.)
• density: 0.891 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: fruity; floral; sweet

Description

Application

• New Method Based on the Direct Analysis in Real Time Coupled with Time-of-Flight Mass Spectrometry to Investigate the Thermal Depolymerization of Poly(methyl methacrylate).: This research presents a novel analytical technique that could be relevant for studying the thermal behavior of methyl isobutyrate in various industrial applications (Al Khulaifi et al., 2023).


• Diagnosis and prognosis of COVID-19 employing analysis of patients′ plasma and serum via LC-MS and machine learning.: While focused on COVID-19, the study utilizes analytical methods that are applicable to the detection of complex esters such as methyl isobutyrate in biological samples (de Fátima Cobre et al., 2022).

Safety Information

• pictograms: GHS02
• signalword: Danger
• hcodes: H225
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk: WGK 3
• flash_point_f: 53.6 °F - closed cup
• flash_point_c: 12 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter