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10031-87-5,MFCD00009343
Catalog No.:AA0001I6
10031-87-5 | Acetic acid, 2-ethylbutyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98+%
1 week  
$161.00   $113.00
- +
25g
98+%
1 week  
$165.00   $115.00
- +
100g
98+%
1 week  
$215.00   $150.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0001I6
Chemical Name:
Acetic acid, 2-ethylbutyl ester
CAS Number:
10031-87-5
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
MDL Number:
MFCD00009343
IUPAC Name:
2-ethylbutyl acetate
InChI:
InChI=1S/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3
InChI Key:
HQLKZWRSOHTERR-UHFFFAOYSA-N
SMILES:
CCC(COC(=O)C)CC
EC Number:
233-095-4
UNII:
R7S9T22253
FEMA Number:
2425
UN Number:
1177
Properties
Computed Properties
 
Complexity:
95.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
2-Ethylbutyl acetate 
10031-87-5 
2-ethylbutylacetat 
EINECS 233-095-4 
UN1177 
2-Ethylbutyl=acetate 
ACMC-2097ot 
SCHEMBL27305 
2-Ethylbutyl acetate, 98% 
KSC492S4H 
AC1L1V95 
2-Ethylbutyl acetate, >=98% 
Acetic acid, 2-ethylbutyl ester 
DTXSID5064916 
CTK3J2943 
FEMA 2425 
HQLKZWRSOHTERR-UHFFFAOYSA- 
KS-00000YNV 
HQLKZWRSOHTERR-UHFFFAOYSA-N 
ZINC409361 
ANW-14235 
AKOS006220485 
AN-20982 
Acetic Acid 2-Ethylbutyl Ester 
CJ-04232 
ZB013973 
RT-001133 
A0029 
FT-0612265 
2-Ethylbutyl acetate [UN1177] [Flammable liquid] 
I04-9826 
J-000097 
2-Ethylbutyl acetate [UN1177] [Flammable liquid] 
InChI=1/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3 
2-ethyl butyl acetate 
Butylbutanoat 
1-Butanol, 2-ethyl-, acetate 
CID61448 
C8-H16-O2 
NA1177 
beta-Ethylbutyl acetate 
UNII-R7S9T22253 
MFCD00009343 
R7S9T22253 
FEMA No. 2425 
Literature
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