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78-35-3 | Linalyl Isobutyrate
CAS No: 78-35-3 Catalog No: AG0053KP MDL No:
Product Description
Catalog Number:
AG0053KP
Chemical Name:
Linalyl Isobutyrate
CAS Number:
78-35-3
Molecular Formula:
C14H24O2
Molecular Weight:
224.3392
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate
InChI:
InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3
InChI Key:
JZIARAQCPRDGAC-UHFFFAOYSA-N
SMILES:
C=CC(OC(=O)C(C)C)(CCC=C(C)C)C
EC Number:
201-108-2
NSC Number:
46145
FEMA Number:
2640
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.344g/mol
Monoisotopic Mass:
224.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Fragrance material review on linalyl isobutyrate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20030701 |
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