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234559

Sigma-Aldrich

Ethyl trimethylacetate

99%

Synonym(s):

Ethyl pivalate, Ethyl 2,2-dimethylpropionate

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About This Item

Linear Formula:
(CH3)3CCOOC2H5
CAS Number:
3938-95-2
Molecular Weight:
130.18
Beilstein/REAXYS Number:
1747617
EC Number:
223-520-1
MDL number:
MFCD00009129
UNSPSC Code:
12352100
PubChem Substance ID:
24854047
NACRES:
NA.22

Quality Level

100

assay

99%

refractive index

n20/D 1.391 (lit.)

bp

118 °C (lit.)

density

0.856 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)C(C)(C)C

InChI

1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3

InChI key

HHEIMYAXCOIQCJ-UHFFFAOYSA-N

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General description

Ethyl trimethylacetate undergoes condensation with acetophenone catalyzed by phosphazene base to yield β-trimethylsilyloxy ester. NCI(F−) and NCI(NH2−) mass spectra of a series of ethyl trimethylacetates have been studied.

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

59.0 °F - closed cup

flash_point_c

15 °C - closed cup

ppe

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

Certificates of Analysis (COA)

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Fragmentation reactions of some aliphatic esters in the NCl (F-) and NCl (NH2-) mass spectra.
Grutzmacher HF and Grotemeyer B.
Org. Mass Spectrom., 19(3), 135-142 (1984)
Koji Kobayashi et al.
Chemical communications (Cambridge, England), (29)(29), 3128-3130 (2006-07-21)
The t-Bu-P4 base was found to be an excellent catalyst for the condensation of trimethylsilylacetate or trimethylacetonitrile with carbonyl compounds to form functionalized alkenes and beta-enaminoesters were also synthesized by the condensation with formanilides.
E Akaho et al.
Journal of pharmaceutical sciences, 70(11), 1225-1228 (1981-11-01)
Interactions of phenolic compounds 4-hexylresorcinol and 3,4-dimethylphenol with esters were studied using hexane-ester cosolvent systems by both phase solubility and partitioning methods. The data obtained by the phase solubility method were variable and could not be analyzed by any mathematical
Yulia Kaluzhny et al.
Alternatives to laboratory animals : ATLA, 43(2), 101-127 (2015-05-23)
The 7th Amendment to the EU Cosmetics Directive and the EU REACH Regulation have reinforced the need for in vitro ocular test methods. Validated in vitro ocular toxicity tests that can predict the human response to chemicals, cosmetics and other

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