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Ethyl Acetate 99.5% AR

CAT: 1507-01141 00500Size: 500 mLDry Ice: NoHazardous: No
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CAT#:1507-01141 00500Size:500 mL
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CAS Number
141-78-6

Chemical Information

Ethyl Acetate

Ethyl acetate is the acetate ester formed between acetic acid and ethanol. It has a role as a metabolite, a polar aprotic solvent, a Saccharomyces cerevisiae metabolite and an EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor. It is a volatile organic compound, an ethyl ester and an acetate ester.

CAS Number141-78-6
PubChem CID8857
IUPAC Nameethyl acetate
Molecular FormulaC4H8O2
Molecular Weight88.11
XLogP0.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity49
SMILES
CCOC(=O)C
InChI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey
XEKOWRVHYACXOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Acetate
CAS: 141-78-6
CID: 8857
Formula: C4H8O2
MW: 88.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight88.11
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass88.052429494
Monoisotopic Mass88.052429494
Topological Polar Surface Area26.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity49.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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