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Ethyl 4-Ethoxybenzoate

CAT: 0572-TRC-E937565-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E937565-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23676-09-7
Synonyms
Benzoic acid, p-ethoxy-, ethyl ester (6CI,7CI,8CI); 4-Ethoxy ethylbenzoate; 4-Ethoxybenzoic acid ethyl ester; Ethyl 4-ethoxybenzoate; Ethyl p-ethoxybenzoate; NSC 405367; p-Ethoxyethyl benzoate; Benzoic acid, 4-ethoxy-, ethyl ester; 4-Ethoxybenzoic Acid-Ethyl Ester
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCOC(=O)c1ccc(OCC)cc1
Molecular Formula
C11 H14 O3
Molecular Weight
194.23
InChI
InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
Additionnal Information
IUPAC name: ethyl 4-ethoxybenzoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ethyl 4-ethoxybenzoate

4-Ethoxy ethylbenzoate is a benzoate ester.

CAS Number23676-09-7
PubChem CID90232
IUPAC Nameethyl 4-ethoxybenzoate
Molecular FormulaC11H14O3
Molecular Weight194.23
XLogP3.2
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity171
SMILES
CCOC1=CC=C(C=C1)C(=O)OCC
InChI
InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
InChIKey
HRAQMGWTPNOILP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-ethoxybenzoate
CAS: 23676-09-7
CID: 90232
Formula: C11H14O3
MW: 194.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.23
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass194.094294304
Monoisotopic Mass194.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity171
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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Alternative Products

CatalogName
OR928615-01Ethyl 4-ethoxybenzoate
OR1063741-01Ethyl 3-bromo-4-ethoxybenzoate
OR1086941-01Methyl 3-ethyl-4-ethoxybenzoate
sc-234970Ethyl 3-chloro-4-ethoxybenzoate
OR20025Ethyl 4-amino-3-ethoxybenzoate
OR13687-01Ethyl 4- (carboxymethyl) -2-ethoxybenzoate
448912-01Ethyl 2-ethoxybenzoate
sc-234972Ethyl 3-ethoxybenzoate
HY-W020201REthyl 4-carboxymethyl-2-ethoxybenzoate (Standard)
OR93612-01Ethyl 4-tert-butyl-2-ethoxybenzoate

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