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148997

Sigma-Aldrich

Methyl valerate

99%

Synonym(s):

Methyl pentanoate

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100 ML
€43.90

About This Item

Linear Formula:
CH3(CH2)3CO2CH3
CAS Number:
624-24-8
Molecular Weight:
116.16
Beilstein:
1741905
EC Number:
210-838-0
MDL number:
MFCD00009478
UNSPSC Code:
12352100
PubChem Substance ID:
24848928
NACRES:
NA.22

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Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.397 (lit.)

bp

128 °C (lit.)

density

0.875 g/mL at 25 °C (lit.)

SMILES string

CCCCC(=O)OC

InChI

1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3

InChI key

HNBDRPTVWVGKBR-UHFFFAOYSA-N

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General description

Methyl valerate is a methyl ester of valeric acid, generally used as a fragrance in the manufacture of soaps and laundry detergents. It is also used as a plasticizer and surrogate component for biodiesel.[1][2]

Application

Methyl valerate can be used:
  • In the preparation of lankacidin C 8-valerate.[3]
  • As a reactant to synthesize bis(2,2,2-trifluoroethyl) 2-oxoalkylphosphonates.[4]
  • As a substrate in the fluorination reactions of unactivated C(sp3)H bonds using decatungstate photocatalyst and N-fluorobenzenesulfonimide.[5]

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H317

Hazard Classifications

Flam. Liq. 3 - Skin Sens. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

84.2 °F

Flash Point(C)

29 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP0769
SHBN9840
SHBN2764
SHBL9886
SHBL5901

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Sigma-Aldrich

260673

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3-Methyl-1-butanol anhydrous, ≥99%

Sigma-Aldrich

309435

3-Methyl-1-butanol

Experiments and modeling of the autoignition of methyl pentanoate at low to intermediate temperatures and elevated pressures in a rapid compression machine
Weber BW, et al.
Fuel: The Science and Technology of Fuel and Energy, 212(5), 479-486 (2018)
A practical process for the preparation of bis (2, 2, 2-trifluoroethyl) 2-oxoalkylphosphonates by acylation with carboxylic esters
Molnar K, et al.
Tetrahedron Letters, 56(34), 4877-4879 (2015)
K Nakahama et al.
The Journal of antibiotics, 28(5), 390-394 (1975-05-01)
Lankacidin C, a component of lankacidin-group (T-2636) antibiotics, was esterified to lankacidin C 8-butyrate in the presence of methyl butyrate by culture broth and by cell-free extract of Bacillus megaterium IFO 12108. In addition, methyl isobutyrate, methyl valerate and methyl
Studies on lankacidin-group (T-2636) antibiotics. X
Nakahama K, et al.
The Journal of Antibiotics, 28(5), 390-394 (1975)
A Convenient Photocatalytic Fluorination of Unactivated C-H Bonds
Halperin SD, et al.
Angewandte Chemie (International Edition in English), 126(18), 4778-4781 (2014)
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