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Merck
CN

W272108

Methyl 4-methylvalerate

≥97%

Synonym(s):

Methyl isocaproate

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About This Item

Linear Formula:
(CH3)2CHCH2CH2CO2CH3
CAS Number:
Molecular Weight:
130.18
FEMA Number:
2721
Council of Europe no.:
322
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.432
EC Number:
219-320-9
NACRES:
NA.21
MDL number:
Organoleptic:
banana; fruity; pineapple; sweet
Biological source:
synthetic
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SMILES string

COC(=O)CCC(C)C

InChI

1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3

InChI key

KBCOVKHULBZKNY-UHFFFAOYSA-N

biological source

synthetic

assay

≥97%

refractive index

n20/D 1.404 (lit.)

bp

139-140 °C (lit.)

density

0.888 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

organoleptic

banana; fruity; pineapple; sweet

Quality Level

pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

102.2 °F - closed cup

flash_point_c

39 °C - closed cup

ppe

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

Regulatory Information

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