Home Carboxes 626-38-0
626-38-0,MFCD00027906
Catalog No.:AA000D5N
626-38-0 | 2-Pentanol, 2-acetate
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250mg
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1 week  
$440.00   $308.00
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  • Technical Information
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Technical Information
Catalog Number:
AA000D5N
Chemical Name:
2-Pentanol, 2-acetate
CAS Number:
626-38-0
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD00027906
IUPAC Name:
pentan-2-yl acetate
InChI:
InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3
InChI Key:
GQKZRWSUJHVIPE-UHFFFAOYSA-N
SMILES:
CCCC(OC(=O)C)C
EC Number:
210-946-8
FEMA Number:
4012
RTECS Number:
AJ2100000
UN Number:
1104
Properties
Computed Properties
 
Complexity:
88.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
2-PENTYL ACETATE 
1-Methylbutyl acetate 
2-Amylester kyseliny octove 
Acetic acid, sec-pentyl ester 
HSDB 6291 
EINECS 210-946-8 
2-Amylester kyseliny octove [Czech] 
sek.Amylester kyseliny octove [Czech] 
BRN 1721249 
GQKZRWSUJHVIPE-UHFFFAOYSA-N 
sec-Pentyl acetate 
2-pentanol acetate 
pentan-2-yl acetate 
Acetic acid-2-pentyl ester 
sek.Amylester kyseliny octove 
2-Pentyl acetat 
sec.-Pentyl acetat 
ACMC-20ano7 
Acetic acid 1-methylbutyl 
2-Pentyl acetate, 99% 
AC1L1Z8R 
Acetic Acid 2-Pentyl Ester 
SCHEMBL97889 
2-Pentanol, acetate 
(+/-)-2-Pentanol acetate 
4-02-00-00155 (Beilstein Handbook Reference) 
DTXSID8052306 
CTK4A9967 
GQKZRWSUJHVIPE-UHFFFAOYSA- 
MFCD00027906 
UN 1104 
AN-22035 
AN-40777 
AS-40089 
626-38-0 
LS-12692 
TC-170350 
FT-0632640 
626M380 
InChI=1/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3 
116783-17-6 
1-Methylbutylacetate 
1-Methylbutylacetat 
AAS (CHRIS Code) 
2-pentanol, 2-acetato 
2-Acetoxypentane 
Pentyl acetate, all isomers 
UNII-B570113U4Q 
2-Pentyl ester of acetic acid 
CID12278 
C7-H14-O2 
B570113U4Q 
sec-Amyl acetate 
53496-15-4 
Acetic acid, 2-pentyl ester 
2-Pentanol, 2-acetate 
Literature
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