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Merck
CN

W271918

Methyl 2-methylbutyrate

≥98%, FCC, FG

Synonym(s):

Methyl 2-methylbutanoate

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About This Item

Linear Formula:
CH3CH2CH(CH3)COOCH3
CAS Number:
868-57-5
Molecular Weight:
116.16
FEMA Number:
2719
Council of Europe no.:
2085
UNSPSC Code:
12164502
PubChem Substance ID:
24901284
Flavis number:
9.483
EC Number:
212-778-0
NACRES:
NA.21
MDL number:
MFCD00009335
Beilstein/REAXYS Number:
1720409
Organoleptic:
fruity; ethereal
Grade:
FG
Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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Product Name

Methyl 2-methylbutyrate, ≥98%, FCC, FG

grade

FG
Kosher

SMILES string

CCC(C)C(=O)OC

InChI

1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3

InChI key

OCWLYWIFNDCWRZ-UHFFFAOYSA-N

biological source

synthetic

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 172.515

assay

≥98%

refractive index

n20/D 1.393 (lit.)

bp

115 °C (lit.)

density

0.88 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

fruity; ethereal

Quality Level

300
400

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General description

Methyl 2-methylbutyrate is an important odor-active constituent of pineapple, apple, cantaloupe, cucumber and strawberries.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

89.6 °F - closed cup

flash_point_c

32 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBS5083
SHBR0771
SHBQ5970
STBK5983
SHBP5441

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Determination of potent odorants in apple by headspace gas dilution analysis.
Komthong P, et al.
LWT--Food Science and Technology, 39(5), 472-478 (2006)
Stir bar sorptive extraction (SBSE)-enantio-MDGC-MS-a rapid method for the enantioselective analysis of chiral flavour compounds in strawberries.
Kreck M, et al.
European Food Research and Technology, 213(4), 389-394 (2001)
Evaluation of potent odorants in cucumbers (Cucumis sativus) and muskmelons (Cucumis melo) by aroma extract dilution analysis
Schieberle P, et al.
Journal of Food Science, 55(1), 193-195 (1990)
Within-season volatile and quality differences in stored fresh-cut cantaloupe cultivars.
Beaulieu JC.
Journal of Agricultural and Food Chemistry, 53(22), 8679-8687 (2005)
Yukiko Tokitomo et al.
Bioscience, biotechnology, and biochemistry, 69(7), 1323-1330 (2005-07-26)
By application of aroma extract dilution analysis (AEDA) to an aroma distillate prepared from fresh pineapple using solvent-assisted flavor evaporation (SAFE), 29 odor-active compounds were detected in the flavor dilution (FD) factor range of 2 to 4,096. Quantitative measurements performed
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