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Merck
CN

36492

Methyl isovalerate

analytical standard

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About This Item

Linear Formula:
(CH3)2CHCH2COOCH3
CAS Number:
556-24-1
Molecular Weight:
116.16
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329755355
EC Number:
209-117-3
Beilstein/REAXYS Number:
1699922
MDL number:
MFCD00042866

Key Documents

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InChI key

OQAGVSWESNCJJT-UHFFFAOYSA-N

InChI

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

SMILES string

COC(=O)CC(C)C

grade

analytical standard

assay

≥99.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

Quality Level

100

refractive index

n20/D 1.393

bp

114-115 °C (lit.)

density

0.881 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

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General description

Methyl isovalerate is a flavoring agent, synthesized via esterification of isovaleric acid with methyl alcohol at the boil in concentrated sulfuric acid.

Application

Methyl isovalerate may be used as an analytical reference standard for the quantification of the analyte in raw rubber materials using gas chromatography coupled with mass spectrometry.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

pcodes

P210

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

57.9 °F - closed cup

flash_point_c

14.4 °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
BCCB9664
BCBV3403
BCBT1054
BCBQ7523V

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Encyclopedia of Food and Color Additives, 1 (1997)
Identification of VOCs from natural rubber by different headspace techniques coupled using GC-MS.
Kamarulzaman HN, et al.
Talanta, 191, 535-544 (2019)
Encyclopedia of Food and Color Additives, 1 (1997)

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