Nootkatone [4674-50-4]
Referentie AG003TAC-5g
Formaat : 5g
Merk : Angene
2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-,(4R,4aS,6R)-
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| Chemical Name: | 2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-,(4R,4aS,6R)- |
| CAS Number: | 4674-50-4 |
| Product Number: | AG003TAC(AGN-PC-0RUN6O) |
| Synonyms: | |
| MDL No: | |
| Molecular Formula: | C15H22O |
| Molecular Weight: | 218.3346 |
Identification/Properties
Properties
MP:
35-39 °C
BP:
318.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.52
Computed Properties
Molecular Weight:
218.34g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
218.167g/mol
Monoisotopic Mass:
218.167g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
364
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes
Safety Information
GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-