52596
Methyl pivalate
suitable for GC/MS, ≥99.9% (GC)
Synonym(s):
Methyl 2,2-dimethylpropionate, Methyl trimethylacetate
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About This Item
Linear Formula:
(CH3)3CCOOCH3
CAS Number:
Molecular Weight:
116.16
UNSPSC Code:
12190000
NACRES:
NB.21
PubChem Substance ID:
EC Number:
209-959-1
Beilstein/REAXYS Number:
1744141
MDL number:
Assay:
≥99.9% (GC)
Technique(s):
GC/MS: suitable
Bp:
101 °C (lit.)
InChI
1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3
SMILES string
COC(=O)C(C)(C)C
InChI key
CNMFHDIDIMZHKY-UHFFFAOYSA-N
assay
≥99.9% (GC)
form
liquid
technique(s)
GC/MS: suitable
Quality Level
bp
101 °C (lit.)
mp
-70 °C
density
0.873 g/mL at 25 °C (lit.)
application(s)
food and beverages
General description
Methyl pivalate is a methyl ester derived from pivalic acid and methanol. It finds use as a solvent and an agent for transesterification reactions. It has gained attention for its positive environmental attributes. It exhibits a significantly lower ozone-forming potential compared to widely used oxygenated solvents like n-butyl ethanoate and butanol, as measured by a maximum incremental reactivity scale.
Application
Methyl pivalate can be used as a solvent for preparing the ISTD solution, diluting allergen standards, and aiding in the extraction of the sample components during the GC-MS analysis process.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
42.8 °F - closed cup
flash_point_c
6 °C - closed cup
Regulatory Information
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Quantum chemical investigation of the Koch carbonylation of methyl tert-butyl ether (MTBE)
Haubein NC, et al.
Industrial & Engineering Chemistry Research, 43(1), 18-29 (2004)
13 C NMR Study of the Acid-Catalyzed Carbonylation of Methyl tert-Butyl Ether (MTBE)}
Haubein NC, et al.
Catalysis Letters, 80, 139-145 (2002)
Online clean-up of volatile compounds in complex matrices for GC-MS quantification: testing with fragranced consumer products
Debonneville C and Chaintreau A
Flavour and Fragrance Journal, 29(5), 267-276 (2014)
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