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Ethyl Acetate

CAT: 0572-TRC-E678350-1LSize: 1 LDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-E678350-1LSize:1 L
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CAS Number
141-78-6
Synonyms
Ethyl acetate; Ethyl ethanoate
Hazard Statement
Highly flammable liquid and vapour; UN number: UN1173; Packing Group: II
Smiles
CCOC(=O)C
Molecular Formula
C4 H8 O2
Molecular Weight
88.11
InChI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
Additionnal Information
IUPAC name: ethyl acetate
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

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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