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Home Other Building Blocks 3-Methylnonane-2,4-dione

3-Methylnonane-2,4-dione

CAS No.:
113486-29-6
Catalog Number:
AG0008R8
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$94
- +
5g
97%
In Stock USA
United States
$313
- +
10g
97%
In Stock USA
United States
$532
- +
25g
97%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG0008R8
Chemical Name:
3-Methylnonane-2,4-dione
CAS Number:
113486-29-6
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD08741451
IUPAC Name:
3-methylnonane-2,4-dione
InChI:
InChI=1S/C10H18O2/c1-4-5-6-7-10(12)8(2)9(3)11/h8H,4-7H2,1-3H3
InChI Key:
BGVBGAIWXAXBLP-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C(C(=O)C)C
EC Number:
601-256-1
FEMA Number:
4057
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Determination of 3-methyl-2,4-nonanedione in red wines using methanol chemical ionization ion trap mass spectrometry. Journal of chromatography. A 20110928
Identification of volatile compounds responsible for prune aroma in prematurely aged red wines. Journal of agricultural and food chemistry 20080709
New constituents related to 3-methyl-2,4-nonanedione identified in green tea. Journal of agricultural and food chemistry 20061129
Freshness assessments of Moroccan sardine (Sardina pilchardus): comparison of overall sensory changes to instrumentally determined volatiles. Journal of agricultural and food chemistry 20031217
Aroma compounds formed from 3-methyl-2,4-nonanedione under photooxidative conditions. Journal of agricultural and food chemistry 20030521
Identification of potent odorants in different green tea varieties using flavor dilution technique. Journal of agricultural and food chemistry 20020925
Practical synthesis of 3-methylnonane-2,4-dione, an intense strawlike and fruity flavored compound. Journal of agricultural and food chemistry 20010801
Properties