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W269409

Methyl isobutyrate

99%, FG

Synonym(s):

Methyl 2-methyl propanoate, Methyl 2-methylpropanoate, Methyl 2-methylpropionate, Methylisobutyrate

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About This Item

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
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biological source

synthetic

Quality Segment

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%

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

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

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).


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Pictograms

Flame
GHS02

Signal Word

Danger

Hazard Codes

H225

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 (personal protective equipment)

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

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