Home Other Building Blocks 2-Octenal, 2-butyl-

2-Octenal, 2-butyl-

CAS No.:
13019-16-4
Catalog Number:
AG000U4D
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000U4D
Chemical Name:
2-Octenal, 2-butyl-
CAS Number:
13019-16-4
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
MDL Number:
MFCD23701665
IUPAC Name:
(Z)-2-butyloct-2-enal
InChI:
InChI=1S/C12H22O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h10-11H,3-9H2,1-2H3/b12-10-
InChI Key:
LYGMPIZYNJGJKP-BENRWUELSA-N
SMILES:
CCCCCC=C(CCCC)C=O
UNII:
82P740211E
FEMA Number:
4616
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Temporal changes in aroma release of Longjing tea infusion: interaction of volatile and nonvolatile tea components and formation of 2-butyl-2-octenal upon aging. Journal of agricultural and food chemistry 20080326
Properties