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2-Butoxyethyl Acetate

CAS No.:
112-07-2
Catalog Number:
AG003GTK
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
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Product Description
Catalog Number:
AG003GTK
Chemical Name:
2-Butoxyethyl Acetate
CAS Number:
112-07-2
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
MDL Number:
MFCD00009457
IUPAC Name:
2-butoxyethyl acetate
InChI:
InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
InChI Key:
NQBXSWAWVZHKBZ-UHFFFAOYSA-N
SMILES:
CCCCOCCOC(=O)C
EC Number:
203-933-3
UNII:
WK5367RE39
RTECS Number:
KJ8925000
UN Number:
1993
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Identification of aroma-active compounds in Jiashi muskmelon juice by GC-O-MS and OAV calculation. Journal of agricultural and food chemistry 20120502
Migration of 2-butoxyethyl acetate from polycarbonate infant feeding bottles. Food additives and contaminants 20031201
Properties