Home Other Building Blocks Benzeneacetic acid, ethyl ester

Benzeneacetic acid, ethyl ester

CAS No.:
101-97-3
Catalog Number:
AG0003GP
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
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Product Description
Catalog Number:
AG0003GP
Chemical Name:
Benzeneacetic acid, ethyl ester
CAS Number:
101-97-3
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00009178
IUPAC Name:
ethyl 2-phenylacetate
InChI:
InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
DULCUDSUACXJJC-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccccc1
EC Number:
202-993-8
UNII:
V6CNZ04D8O
FEMA Number:
2452
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
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Sweet-like off-flavor in Aglianico del Vulture wine: ethyl phenylacetate as the mainly involved compound. Journal of agricultural and food chemistry 20070627
Synthesis and biological evaluation of 1,3,3,4-tetrasubstituted pyrrolidine CCR5 receptor antagonists. Discovery of a potent and orally bioavailable anti-HIV agent. ChemMedChem 20070201
Phenolic constituents in the fruits of Cinnamomum zeylanicum and their antioxidant activity. Journal of agricultural and food chemistry 20060308
Synthesis of 2H-1,2-benzothiazine 1,1-dioxides via heteroannulation reactions of 2-iodobenzenesulfonamide with ketone enolates under S(RN)1 conditions. The Journal of organic chemistry 20051111
Influence of volatile compounds produced by yeasts predominant during processing of Coffea arabica in East Africa on growth and ochratoxin A (OTA) production by Aspergillus ochraceus. Yeast (Chichester, England) 20051030
Synthesis of ethyl phenylacetate by lyophilized mycelium of Aspergillus oryzae. Applied microbiology and biotechnology 20050601
Aerosolized essential oils and individual natural product compounds as brown treesnake repellents. Pest management science 20020801
Properties