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Isobutyl acetate

CAS No.:
110-19-0
Catalog Number:
AG003R2I
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
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Product Description
Catalog Number:
AG003R2I
Chemical Name:
Isobutyl acetate
CAS Number:
110-19-0
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD00008932
IUPAC Name:
2-methylpropyl acetate
InChI:
InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChI Key:
GJRQTCIYDGXPES-UHFFFAOYSA-N
SMILES:
CC(COC(=O)C)C
EC Number:
203-745-1
UNII:
7CR47FO6LF
NSC Number:
8035
FEMA Number:
2175
RTECS Number:
AI4025000
UN Number:
1213
Properties
Complexity:
76.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
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The effect of inhaling thinner and/or cigarette smoke on rat kidneys. Inhalation toxicology 20070301
Paint thinner exposure inhibits testosterone synthesis and secretion in a reversible manner in the rat. Reproductive toxicology (Elmsford, N.Y.) 20061101
Influence of volatile compounds produced by yeasts predominant during processing of Coffea arabica in East Africa on growth and ochratoxin A (OTA) production by Aspergillus ochraceus. Yeast (Chichester, England) 20051030
Vapor-phase analysis of isobutyl acetate, isopropyl acetate, n-propyl acetate and their respective alcohols using solid-phase microextraction-gas chromatography with a mass selective detector. Journal of chromatography. A 20050225
Production of volatile organic sulfur compounds (VOSCs) by basidiomycetous yeasts. FEMS yeast research 20050201
A study on volatile organic compounds (VOCs) produced by tropical ascomycetous yeasts. Antonie van Leeuwenhoek 20030101
Effect of wild strains of Lactococcus lactis on the volatile profile and the sensory characteristics of ewes' raw milk cheese. Journal of dairy science 20021201
Aromatic profile of aqueous banana essence and banana fruit by gas chromatography-mass spectrometry (GC-MS) and gas chromatography-olfactometry (GC-O). Journal of agricultural and food chemistry 20011001
Integrated bioprocess for enhanced production of natural flavors and fragrances by Ceratocystis moniliformis. Biomolecular engineering 20010501
Properties