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W272108

Sigma-Aldrich

Methyl 4-methylvalerate

≥97%

Synonym(s):

Methyl isocaproate

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About This Item

Linear Formula:
(CH3)2CHCH2CH2CO2CH3
CAS Number:
2412-80-8
Molecular Weight:
130.18
FEMA Number:
2721
EC Number:
219-320-9
Council of Europe no.:
322
MDL number:
MFCD00191236
UNSPSC Code:
12164502
PubChem Substance ID:
24901287
Flavis number:
9.432
NACRES:
NA.21

biological source

synthetic

Quality Level

400

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

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

Related Categories

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

102.2 °F - closed cup

Flash Point(C)

39 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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