Ethyl trimethylacetate - CAS 3938-95-2

Catalog:	BB023958
Product Name:	Ethyl trimethylacetate
CAS:	3938-95-2
Synonyms:	ethyl 2,2-dimethylpropanoate

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Computed Properties

IUPAC Name:	ethyl 2,2-dimethylpropanoate
Description:	Ethyl trimethylacetate (CAS# 3938-95-2 ) is a useful research chemical.
Molecular Weight:	130.18
Molecular Formula:	C7H14O2
Canonical SMILES:	CCOC(=O)C(C)(C)C
InChI:	InChI=1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3
InChI Key:	HHEIMYAXCOIQCJ-UHFFFAOYSA-N
Boiling Point:	118 °C
Melting Point:	-90 °C
Purity:	99 %
Density:	0.855 g/cm³
Appearance:	Clear liquid
Storage:	Flammables area
LogP:	1.59560

Publication Number	Title	Priority Date
CN-113078309-A	Positive electrode active material, and electrochemical device and electronic device using same	20210325
CN-112701349-A	Electrolyte solution, electrochemical device and electronic apparatus including the same	20201228
CN-112599742-A	Electrochemical device and electronic device	20201214
CN-112599761-A	Electrochemical device and electronic device	20201211
CN-112542569-A	Electrode assembly, electrochemical device comprising same and electronic device	20201204

PMID	Publication Date	Title	Journal
18489082	20080501	Evolution of the Petasis-Ferrier union/rearrangement tactic: construction of architecturally complex natural products possessing the ubiquitous cis-2,6-substituted tetrahydropyran structural element	Accounts of chemical research

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GHS Hazard Statement:	H225 (97.87%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	100
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.099379685
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	130.099379685
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9