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Methyl Acetate 99% For Synthesis

CAT: 1507-01701 02500Size: 2.5 LDry Ice: NoHazardous: No
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CAT#:1507-01701 02500Size:2.5 L
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CAS Number
79-20-9

Chemical Information

Methyl Acetate

Methyl acetate is an acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 C) colourless, flammable liquid, it is used as a solvent for many resins and oils. It has a role as a fragrance, a polar aprotic solvent and an EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor. It is a volatile organic compound, a methyl ester and an acetate ester.

CAS Number79-20-9
PubChem CID6584
IUPAC Namemethyl acetate
Molecular FormulaC3H6O2
Molecular Weight74.08
XLogP0.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity40
SMILES
CC(=O)OC
InChI
InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
InChIKey
KXKVLQRXCPHEJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl Acetate
CAS: 79-20-9
CID: 6584
Formula: C3H6O2
MW: 74.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight74.08
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass74.036779430
Monoisotopic Mass74.036779430
Topological Polar Surface Area26.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity40.2
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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