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Ethyl Benzoate 99% For Synthesis

CAT: 1507-115000500Size: 500 mLDry Ice: NoHazardous: No
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CAS Number
93-89-0
HSN Code
29163190

Chemical Information

Ethyl benzoate

Ethyl benzoate is a benzoate ester obtained by condensation of benzoic acid and ethanol. It is a volatile oil component found in ripe kiwifruit, cranberry juice, and palm kernel oil. It has a role as a volatile oil component, a flavouring agent and a fragrance. It is an ethyl ester and a benzoate ester.

CAS Number93-89-0
PubChem CID7165
IUPAC Nameethyl benzoate
Molecular FormulaC9H10O2
Molecular Weight150.17
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity126
SMILES
CCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
MTZQAGJQAFMTAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl benzoate
CAS: 93-89-0
CID: 7165
Formula: C9H10O2
MW: 150.17
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass150.068079557
Monoisotopic Mass150.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity126
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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