Home Carboxes 10031-93-3
10031-93-3,MFCD00026923
Catalog No.:AA0001I2
10031-93-3 | Benzenebutanoic acid, ethyl ester
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1g
99%(GC)
in stock  
$45.00
- +
5g
99%(GC)
in stock  
$120.00
- +
25g
99%(GC)
in stock  
$423.00
- +
100g
99%(GC)
in stock  
$1,261.00
- +
  • Technical Information
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  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001I2
Chemical Name:
Benzenebutanoic acid, ethyl ester
CAS Number:
10031-93-3
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD00026923
IUPAC Name:
ethyl 4-phenylbutanoate
InChI:
InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChI Key:
GGFNXKFGVQQNRV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCc1ccccc1
EC Number:
600-062-4
UNII:
BU9R7P5U55
NSC Number:
163318
FEMA Number:
2453
Properties
Computed Properties
 
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
Ethyl 4-phenylbutanoate 
Ethyl 4-phenylbutyrate 
BU9R7P5U55 
4-phenylbutyric acid ethyl ester 
GGFNXKFGVQQNRV-UHFFFAOYSA-N 
4-Phenylbutyricacidethylester 
FEMA No. 2453 
AI3-34131 
Ethyl 4-phenyl-Mutanoate 
4-Phenylbutyric acid ethyl 
Ethyl 4-phenylbutanoate # 
AC1L1V9E 
10031-93-3 
AC1Q34RO 
SCHEMBL260297 
Benzenebutanoic acid,ethyl ester 
CTK3J8790 
FEMA 2453 
DTXSID90143132 
ZINC393698 
0152AA 
AR3071 
BBL104183 
Benzenebutanoic acid, ethyl ester 
LMFA07010871 
MFCD00026923 
NSC163318 
STL557997 
AKOS005216724 
MCULE-2194950913 
NSC-163318 
TRA0014911 
AJ-21299 
AN-20986 
Ethyl 4-phenyl butyrate 
AS-45517 
WE(12:3) 
ZB012260 
E1027 
FT-0636619 
A18005 
K-0166 
031E933 
Butyric acid, ethyl ester 
4-phenyl-butyric acid ethyl ester 
Ethyl benzenebutanoate 
C12H16O2 
CID61452 
C12-H16-O2 
Benzenebutanoic Acid Ethyl Ester 
Ethyl gamma-phenylbutyrate 
UNII-BU9R7P5U55 
Butyric acid, 4-phenyl-, ethyl ester 
Literature
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