1.0
2010-04-08 22:08:08 UTC
2015-07-20 22:23:32 UTC
FDB008549
4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone
Listed in the EAFUS Food Additive Database (Jan 2001)
1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone, 9CI
1-Acetyl-4-tert-butyl-2,6-dimethyl-3,5-dinitrobenzene
2-Acetyl-5-tert-butyl-4,6-dinitroxylene
2,6-dimethyl-3,5-dinitro-4-t-butylacetophenone
2,6-Dimethyl-3,5-dinitro-4-tert-butylacetophenone
2,6-DINITRO-3,5-DIMETHYL-4-ACETYL-tert-BUTYLBENZENE
2,6-Dinitro-3,5-dimethyl-4-acetyl-tertbutylbenzene
3,5-Dinitro-2,6-dimethyl-4-tert-butyl acetophenone
3,5-Dinitro-2,6-dimethyl-4-tert-butylacetophenone
4-t-Butyl-2,6-dimethyl-3,5-dinitroacetophenone
4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone
4-tert-Butyl-2,6-dimethyl-3,5-dinitroactophenone
4-tert-Butyl-3,5-dinitro-2,6-dimethylacetophenone
4'-tert-Butyl-2', 6'-dimethyl-3',5'-dinitroacetophenone
4'-Tert-butyl-2',6'-dimethyl-3',5'-dinitro-acetophenone
Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-
Acetyl-dinitro-butyl-xylene
Dinitro-tert-butylxylyl methyl ketone
Ketone moschus
Ketone musk
Musk ketone
C14H18N2O5
294.3031
294.121571696
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one
musk ketone
81-14-1
CC(=O)C1=C(C)C(=C(C(=C1C)N(=O)=O)C(C)(C)C)N(=O)=O
InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
WXCMHFPAUCOJIG-UHFFFAOYSA-N
belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
Alkyl-phenylketones
Organic compounds
Organic oxygen compounds
Organooxygen compounds
Carbonyl compounds
Aromatic homomonocyclic compounds
Acetophenones
Aryl alkyl ketones
Benzoyl derivatives
Hydrocarbon derivatives
Nitroaromatic compounds
Nitrobenzenes
Nitrotoluenes
Organic oxides
Organic oxoazanium compounds
Organonitrogen compounds
Organopnictogen compounds
Phenylpropanes
Propargyl-type 1,3-dipolar organic compounds
m-Xylenes
Acetophenone
Alkyl-phenylketone
Allyl-type 1,3-dipolar organic compound
Aromatic homomonocyclic compound
Aryl alkyl ketone
Benzenoid
Benzoyl
C-nitro compound
Hydrocarbon derivative
M-xylene
Monocyclic benzene moiety
Nitroaromatic compound
Nitrobenzene
Nitrotoluene
Organic 1,3-dipolar compound
Organic nitro compound
Organic nitrogen compound
Organic oxide
Organic oxoazanium
Organonitrogen compound
Organopnictogen compound
Phenylpropane
Propargyl-type 1,3-dipolar organic compound
Xylene
logp
3.28
logs
-4.80
solubility
4.63e-03 g/l
melting_point
Mp 135.5-136°
logp
3.98
pka_strongest_acidic
15.83
pka_strongest_basic
-7.4
iupac
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one
average_mass
294.3031
mono_mass
294.121571696
smiles
CC(=O)C1=C(C)C(=C(C(=C1C)N(=O)=O)C(C)(C)C)N(=O)=O
formula
C14H18N2O5
inchi
InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
inchikey
WXCMHFPAUCOJIG-UHFFFAOYSA-N
polar_surface_area
108.71
refractivity
79.86
polarizability
28.99
rotatable_bond_count
4
acceptor_count
5
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
11091
Specdb::CMs
29691
Specdb::CMs
100980
Specdb::CMs
172906
Specdb::MsMs
67797
Specdb::MsMs
67798
Specdb::MsMs
67799
Specdb::MsMs
125691
Specdb::MsMs
125692
Specdb::MsMs
125693
Specdb::MsMs
2256572
Specdb::MsMs
2258038
Specdb::MsMs
2258571
Specdb::MsMs
3049694
Specdb::MsMs
3049695
Specdb::MsMs
3049696
Specdb::MsMs
3117902
Specdb::MsMs
3117903
Specdb::MsMs
3117904
HMDB31865
#<Reference:0x0000555675649cd8>
dry
fatty
musk
musky
powdery
soapy