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90-27-7,MFCD00002667
Catalog No.:AA003HSI
90-27-7 | 2-Phenylbutyric acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
99%(GC)
in stock  
$46.00   $32.00
- +
25g
99%(GC)
in stock  
$73.00   $51.00
- +
100g
99%(GC)
in stock  
$129.00   $90.00
- +
500g
99%(GC)
in stock  
$424.00   $297.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003HSI
Chemical Name:
2-Phenylbutyric acid
CAS Number:
90-27-7
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00002667
IUPAC Name:
2-phenylbutanoic acid
InChI:
InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChI Key:
OFJWFSNDPCAWDK-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)C(=O)O
EC Number:
201-982-5
NSC Number:
1860
Properties
Computed Properties
 
Complexity:
148  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
2-phenylbutanoic acid 
2-phenylbutyric acid 
2-Phenylbutyricacid 
MCULE-3609745851 
RP22715 
RTR-030626 
TRA0024284 
AC-10409 
AN-16776 
LS-48147 
AB0007710 
TL8005809 
TR-030626 
Benzeneacetic acid, alpha-ethyl- 
FT-0613342 
P0164 
R1047 
ST24041013 
ST45025469 
I01-6386 
I04-8340 
I04-8341 
J-520787 
W-100334 
NSC 1860 
I04-13468 
F2191-0104 
Z1259040987 
(+/-)-2-Phenylbutyric acid, Vetec(TM) reagent grade, 98% 
36541-31-8 
InChI=1/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12 
Phenylbutyric acid 
2-phenylsmorsyre 
2-phenylbutanoate 
2-Phenylbutanoicacid 
2-Phenylburyric acid 
ethyl 2-phenylacetate 
|A-phenylbutyric acid 
(S)-2-Phenylbutanoic acid 
()-2-Phenylbutyric acid 
|A-ethylbenzeneacetic acid 
(R)-2-phenylbutyric acid 
UNII-S7S079H2C2 
(R)-(-)-2-Phenylbutyric acid 
(S)-(+)-2-Phenylbutyric acid 
CID7012 
alpha-Toluic acid, alpha-ethyl- 
S7S079H2C2 
C10H12O2 
AR-1L0622 
C10-H12-O2 
2-Phenylbutyric acid, 98% - 100G 100g 
938-79-4 
4286-15-1 
88745-29-3 
2-phenyl-butyric acid 
EINECS 201-982-5 
MFCD00002667 
.alpha.-Phenylbutyric acid 
(r)-2-phenylbutanoic acid 
2-Phenylbutyric acid 
BRN 0509876 
2-Ethyl-2-phenylacetic Acid 
alpha-Ethyl-alpha-toluic acid 
(+/-)-2-Phenylbutyric acid 
AI3-11228 
CHEBI:86545 
NSC1860 
OFJWFSNDPCAWDK-UHFFFAOYSA-N 
.alpha.-Toluic acid, .alpha.-ethyl- 
a-Phenylbutyrate 
2-Phenylbutanoic acid 
2-Phenylbutyrate 
a-Ethyl-a-toluate 
a-Ethylphenylacetate 
alpha-Phenylbutyrate 
phenyl butanoic acid 
a-Ethylbenzeneacetate 
ACMC-20apgm 
2-Phenyl butyric acid 
a-Ethyl-a-toluic acid 
alpha-Ethylphenylacetate 
90-27-7 
Spectrum_001673 
Butanoic acid, phenyl- 
a-Ethylphenylacetic acid 
ACMC-20apl0 
alpha-Ethylbenzeneacetate 
SpecPlus_000897 
a-Ethylbenzeneacetic acid 
(RS)-2-Phenylbutanoate 
AC1L1NSY 
AC1Q2RVZ 
alpha-Ethylphenylacetic acid 
AC1Q5RUV 
alpha-Ethyl-alpha-toluate 
Spectrum2_000510 
Spectrum3_001664 
Spectrum4_000626 
Spectrum5_001396 
(+)2-phenylbutyric acid 
ACMC-209r5g 
bmse000617 
A-PHENYLBUTYRIC ACID 
alpha-Phenylbutyric acid 
alpha-Phenyl-n-butyric acid 
Cambridge id 5132265 
SCHEMBL1715 
WLN: QVY2&R 
.alpha.-Phenyl butyric acid 
alpha-Ethylbenzeneacetic acid 
(RS)-2-Phenylbutanoic acid 
2-Phenylbutyric acid, 98% 
BSPBio_003447 
KBioGR_001212 
Butyric acid, 2-phenyl- 
KBioSS_002153 
2-09-00-00356 (Beilstein Handbook Reference) 
KSC209S9B 
DivK1c_006993 
.alpha.-Ethylphenylacetic acid 
SPBio_000439 
(2RS)-2-Phenylbutanoic Acid 
.alpha.-Phenyl-n-butyric acid 
CHEMBL1616045 
CTK1A9990 
Benzeneacetic acid, .alpha.-ethyl- 
KBio1_001937 
KBio2_002153 
KBio2_004721 
KBio2_007289 
KBio3_002667 
(.+/-.)-2-Phenylbutyric acid 
(.+/-.)-2-Phenylbutanoic acid 
ALBB-023513 
KS-00000X9F 
NSC-1860 
alpha-Phenyl butyric acid 
(+/-)-alpha-Ethylphenylacetic acid 
(^+)-2-Phenylbutyric acid, 98% 
ANW-39458 
BBL012274 
HTS006421 
SBB042503 
STL163589 
AKOS000120324 
AKOS016040111 
BS-3887 
Literature
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