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Merck
CN

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:
Molecular Weight:
102.13
FEMA Number:
2694
Council of Europe no.:
287
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.412
EC Number:
208-929-5
NACRES:
NA.21
MDL number:
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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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

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

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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).


pictograms

Flame

signalword

Danger

hcodes

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

Regulatory Information

危险化学品
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