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2-Methylbutyl Acetate

CAS No.:
624-41-9
Catalog Number:
AG003HOX
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
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Product Description
Catalog Number:
AG003HOX
Chemical Name:
2-Methylbutyl Acetate
CAS Number:
624-41-9
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD00040494
IUPAC Name:
2-methylbutyl acetate
InChI:
InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
InChI Key:
XHIUFYZDQBSEMF-UHFFFAOYSA-N
SMILES:
CCC(COC(=O)C)C
EC Number:
210-843-8
FEMA Number:
3644
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:
2.1  
Literature
Title Journal
Volatile composition of four southern highbush blueberry cultivars and effect of growing location and harvest date. Journal of agricultural and food chemistry 20110810
Branched-chain and aromatic amino acid catabolism into aroma volatiles in Cucumis melo L. fruit. Journal of experimental botany 20100201
Co-ordination of early and late ripening events in apples is regulated through differential sensitivities to ethylene. Journal of experimental botany 20090701
Impact of thermal and nonthermal processing technologies on unfermented apple cider aroma volatiles. Journal of agricultural and food chemistry 20090211
Pathway analysis of branched-chain ester biosynthesis in apple using deuterium labeling and enantioselective gas chromatography-mass spectrometry. Journal of agricultural and food chemistry 20070404
Genetic diversity of volatile components in Xinjiang Wild Apple (Malus sieversii). Journal of genetics and genomics = Yi chuan xue bao 20070201
An alcohol acyl transferase from apple (cv. Royal Gala), MpAAT1, produces esters involved in apple fruit flavor. The FEBS journal 20050601
Germination and adhesion of fungal conidia on polycarbonate membranes and on apple fruit exposed to mycoactive acetate esters. Canadian journal of microbiology 20030201
A study on volatile organic compounds (VOCs) produced by tropical ascomycetous yeasts. Antonie van Leeuwenhoek 20030101
Volatile response of four apple varieties with different coatings during marketing at room temperature. Journal of agricultural and food chemistry 20021218
Biosynthesis of strawberry aroma compounds through amino acid metabolism. Journal of agricultural and food chemistry 20020703
Character impact odorants of the apple cultivars Elstar and Cox Orange. Die Nahrung 20020601
Mycoactive acetate esters from apple fruit stimulate adhesion and germination of conidia of the gray mold fungus. Journal of agricultural and food chemistry 20020522
Properties