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81925-81-7 | 5-Methylhept-2-en-4-one
CAS No: 81925-81-7 Catalog No: AG003MV2 MDL No:MFCD00792509
Product Description
Catalog Number:
AG003MV2
Chemical Name:
5-Methylhept-2-en-4-one
CAS Number:
81925-81-7
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00792509
IUPAC Name:
(E)-5-methylhept-2-en-4-one
InChI:
InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+
InChI Key:
ARJWAURHQDJJAC-GQCTYLIASA-N
SMILES:
CC=CC(=O)C(CC)C
FEMA Number:
3761
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Changes in the key odorants of Italian Hazelnuts ( Coryllus avellana L. Var. Tonda Romana) induced by roasting. | Journal of agricultural and food chemistry 20100526 |
| Determination of filbertone in spiked olive oil samples using headspace-programmed temperature vaporization-gas chromatography-mass spectrometry. | Analytical and bioanalytical chemistry 20090701 |
| Semipreparative-scale gas-chromatographic separation of filbertone enantiomers. | Journal of separation science 20060301 |
| Direct olive oil authentication: detection of adulteration of olive oil with hazelnut oil by direct coupling of headspace and mass spectrometry, and multivariate regression techniques. | Journal of chromatography. A 20050513 |
| Solid-phase microextraction for studies on the enantiomeric composition of filbertone in hazelnut oils. | Journal of agricultural and food chemistry 20030423 |
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