9-Pyridin-4-yl-1,2,3,4,5,6,7,8-octahydroacridine 10-oxide
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Identifiers
Molecular formula
C18H20N2OSMILES
C1CCC2=C(C1)C(=C3CCCCC3=[N+]2[O-])C4=CC=NC=C4
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Odor profile
Fragrance Animal 48.59% Musk 38.03% Sweet 35.2% Floral 33.33% Powdery 26.82% Earthy 25.29% Phenolic 23.1% Leathery 23.09% Musty 21.8% Amber 21.37% Flavor Bitter 70.49% Animal 28.59% Cereal 22.66% Very strong 22.31% Indole 21.92% Alkaline 21.24% Shrimp 20.14% Moth ball 19.9% Cedarleaf 19.72% Naphthelene 19.66% Odor impact est.
Low -
Properties
XLogP3-AA
2.9pKa est.
5.44 (weak acid)Molecular weight
280.4 g/molFlash point
- 216.64 ˚C est.
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Synonyms
- 9-pyridin-4-yl-1,2,3,4,5,6,7,8-octahydroacridine 10-oxide
- 1,2,3,4,5,6,7,8-Octahydro-9-(4-pyridyl)acridine-10-oxide
- 9-Pyridin-4-yl-1,2,3,4,5,6,7,8-octahydro-acridine 10-oxide
- acridine, 1,2,3,4,5,6,7,8-octahydro-9-(4-pyridinyl)-, 10-oxide
- InChI=1/C18H20N2O/c21-20-16-7-3-1-5-14(16)18(13-9-11-19-12-10-13)15-6-2-4-8-17(15)20/h9-12H,1-8H
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Applications
9-Pyridin-4-yl-1,2,3,4,5,6,7,8-octahydroacridine 10-oxide is primarily used as an organic synthesis intermediate and heterocyclic building block for medicinal chemistry, serving as a starting material or scaffold for the development of biologically active heterocycles. It is also investigated as a precursor for dyes and fluorescence-related materials and sensing components in materials science and photonics, with potential applications in organic electronics. Additionally, it can provide a structural framework for polymer and coating formulations in materials industries.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 123.45 methanol 111.99 isopropanol 86.93 water 0.08 ethyl acetate 265.99 n-propanol 130.83 acetone 289.22 n-butanol 135.0 acetonitrile 145.82 DMF 552.06 toluene 359.13 isobutanol 112.31 1,4-dioxane 411.71 methyl acetate 259.69 THF 425.35 2-butanone 357.07 n-pentanol 112.38 sec-butanol 91.67 n-hexane 4.73 ethylene glycol 44.34 NMP 532.14 cyclohexane 22.49 DMSO 283.17 n-butyl acetate 202.7 n-octanol 59.13 chloroform 1475.88 n-propyl acetate 206.27 acetic acid 194.13 dichloromethane 1613.08 cyclohexanone 757.08 propylene glycol 37.87 isopropyl acetate 157.12 DMAc 392.28 2-ethoxyethanol 191.53 isopentanol 124.38 n-heptane 5.61 ethyl formate 327.82 1,2-dichloroethane 913.19 n-hexanol 99.26 2-methoxyethanol 287.9 isobutyl acetate 155.68 tetrachloromethane 136.89 n-pentyl acetate 212.31 transcutol 389.67 n-heptanol 76.23 ethylbenzene 137.61 MIBK 149.51 2-propoxyethanol 191.86 tert-butanol 67.47 MTBE 59.55 2-butoxyethanol 167.7 propionic acid 183.06 o-xylene 158.22 formic acid 81.98 diethyl ether 106.72 m-xylene 159.75 p-xylene 173.95 chlorobenzene 573.96 dimethyl carbonate 181.89 n-octane 4.89 formamide 161.02 cyclopentanone 686.36 2-pentanone 257.45 anisole 187.54 cyclopentyl methyl ether 190.28 gamma-butyrolactone 793.58 1-methoxy-2-propanol 166.31 pyridine 960.11 3-pentanone 219.07 furfural 914.38 n-dodecane 5.91 diethylene glycol 170.83 diisopropyl ether 31.72 tert-amyl alcohol 68.54 acetylacetone 331.01 n-hexadecane 7.14 acetophenone 274.48 methyl propionate 257.17 isopentyl acetate 182.83 trichloroethylene 2086.52 n-nonanol 57.27 cyclohexanol 173.73 benzyl alcohol 272.66 2-ethylhexanol 75.85 isooctanol 67.66 dipropyl ether 52.6 1,2-dichlorobenzene 472.13 ethyl lactate 105.61 propylene carbonate 489.54 n-methylformamide 311.27 2-pentanol 69.63 n-pentane 6.41 1-propoxy-2-propanol 114.78 1-methoxy-2-propyl acetate 181.07 2-(2-methoxypropoxy) propanol 113.18 mesitylene 78.81 ε-caprolactone 545.71 p-cymene 66.39 epichlorohydrin 978.12 1,1,1-trichloroethane 498.94 2-aminoethanol 75.36 morpholine-4-carbaldehyde 521.01 sulfolane 645.44 2,2,4-trimethylpentane 5.68 2-methyltetrahydrofuran 292.12 n-hexyl acetate 202.12 isooctane 4.18 2-(2-butoxyethoxy)ethanol 174.8 sec-butyl acetate 130.48 tert-butyl acetate 129.79 decalin 15.99 glycerin 77.26 diglyme 339.49 acrylic acid 235.43 isopropyl myristate 70.55 n-butyric acid 301.22 acetyl acetate 211.02 di(2-ethylhexyl) phthalate 104.2 ethyl propionate 165.75 nitromethane 389.97 1,2-diethoxyethane 176.91 benzonitrile 466.14 trioctyl phosphate 66.16 1-bromopropane 284.36 gamma-valerolactone 914.63 n-decanol 44.12 triethyl phosphate 82.36 4-methyl-2-pentanol 50.02 propionitrile 191.24 vinylene carbonate 552.44 1,1,2-trichlorotrifluoroethane 575.56 DMS 216.86 cumene 81.57 2-octanol 55.03 2-hexanone 196.9 octyl acetate 96.82 limonene 74.2 1,2-dimethoxyethane 310.71 ethyl orthosilicate 72.66 tributyl phosphate 78.42 diacetone alcohol 142.21 N,N-dimethylaniline 115.66 acrylonitrile 331.79 aniline 336.16 1,3-propanediol 138.42 bromobenzene 632.7 dibromomethane 808.27 1,1,2,2-tetrachloroethane 1181.25 2-methyl-cyclohexyl acetate 128.44 tetrabutyl urea 103.66 diisobutyl methanol 38.6 2-phenylethanol 217.93 styrene 188.34 dioctyl adipate 110.98 dimethyl sulfate 242.72 ethyl butyrate 141.99 methyl lactate 129.37 butyl lactate 145.3 diethyl carbonate 119.41 propanediol butyl ether 127.9 triethyl orthoformate 96.54 p-tert-butyltoluene 52.72 methyl 4-tert-butylbenzoate 170.19 morpholine 423.97 tert-butylamine 37.71 n-dodecanol 34.97 dimethoxymethane 292.44 ethylene carbonate 456.73 cyrene 187.38 2-ethoxyethyl acetate 271.57 2-ethylhexyl acetate 154.32 1,2,4-trichlorobenzene 531.12 4-methylpyridine 681.98 dibutyl ether 67.6 2,6-dimethyl-4-heptanol 38.6 DEF 308.99 dimethyl isosorbide 220.59 tetrachloroethylene 916.48 eugenol 191.87 triacetin 184.46 span 80 109.93 1,4-butanediol 73.75 1,1-dichloroethane 550.59 2-methyl-1-pentanol 122.56 methyl formate 306.64 2-methyl-1-butanol 121.57 n-decane 8.12 butyronitrile 212.7 3,7-dimethyl-1-octanol 55.54 1-chlorooctane 52.82 1-chlorotetradecane 24.96 n-nonane 6.39 undecane 6.74 tert-butylcyclohexane 10.82 cyclooctane 7.44 cyclopentanol 163.14 tetrahydropyran 325.94 tert-amyl methyl ether 57.16 2,5,8-trioxanonane 203.99 1-hexene 36.49 2-isopropoxyethanol 133.72 2,2,2-trifluoroethanol 113.03 methyl butyrate 247.56 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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Category 1
Products applied to the lips
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No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
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No restriction |
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Category 2
Products applied to the axillae
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No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
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No restriction |
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Category 3
Products applied to the face/body using fingertips
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No restriction |
Category 8
Products with significant anogenital exposure
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No restriction |
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Category 4
Products related to fine fragrance
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No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
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No restriction |
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Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
No restriction |
Category 10A
Household care products with mostly hand contact
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No restriction |
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Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
No restriction |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
No restriction |
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Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
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No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
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No restriction |
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Category 5D
Baby Creams, baby Oils and baby talc
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No restriction |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
No restriction |
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Category 6
Products with oral and lip exposure
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No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
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No restriction |