Ketinimine,ethyl,N-phenyl
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Identifiers
Molecular formula
C10H11NSMILES
CCC=C=NC1=CC=CC=C1
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Odor profile
Fragrance Green 72.44% Pungent 50.49% Spicy 45.66% Radish 42.17% Vegetable 38.98% Sweet 32.32% Herbal 31.06% Nutty 30.69% Leafy 30.62% Floral 27.28% Flavor Green 55.11% Bitter 32.86% Oily 32.43% Horseradish 31.54% Nutty 31.29% Spicy 29.5% Pungent 27.48% Floral 25.83% Cinnamon 24.81% Herbal 24.54% Odor impact est.
High -
Properties
XLogP3-AA
3.3pKa est.
5.0 (weak acid)Molecular weight
145.2 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
ModerateBoiling point est.
216°CFlash point
- 96.58 ˚C est.
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Synonyms
- KETINIMINE,ETHYL,N-PHENYL
- N-but-1-en-1-ylideneaniline
- benzene, (1-butenylideneamino)-
- InChI=1/C10H11N/c1-2-3-9-11-10-7-5-4-6-8-10/h3-8H,2H2,1H
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Applications
Ketinimine,ethyl,N-phenyl is primarily used as an intermediate in organic synthesis, enabling transformations to substituted amines and heterocycles, a role commonly explored in pharmaceutical and agrochemical development. It also serves as a building block in polymer and coatings chemistry, acting as a reactive ketimine intermediate in the synthesis of functionalized polymers and resin components. In dye and pigment chemistry, it provides pathways to colorant precursors and related compounds, supporting specialty coatings and inks. It may function as a curing or crosslinking component in adhesives and sealants formulations, leveraging its imine functionality. Its use is formulation- and regulation-dependent, with handling guided by local regulations and safety data sheets.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 604.62 methanol 327.9 isopropanol 482.71 water 0.05 ethyl acetate 1572.56 n-propanol 509.22 acetone 2714.65 n-butanol 587.15 acetonitrile 1144.99 DMF 2916.29 toluene 1406.28 isobutanol 442.81 1,4-dioxane 1825.18 methyl acetate 1166.93 THF 3152.82 2-butanone 1785.09 n-pentanol 458.51 sec-butanol 508.16 n-hexane 635.58 ethylene glycol 67.77 NMP 2025.0 cyclohexane 857.86 DMSO 2764.93 n-butyl acetate 1996.99 n-octanol 509.63 chloroform 4926.92 n-propyl acetate 982.49 acetic acid 889.4 dichloromethane 4952.76 cyclohexanone 2841.56 propylene glycol 137.13 isopropyl acetate 822.97 DMAc 1607.18 2-ethoxyethanol 457.12 isopentanol 524.93 n-heptane 413.24 ethyl formate 808.63 1,2-dichloroethane 3331.43 n-hexanol 839.96 2-methoxyethanol 815.79 isobutyl acetate 591.64 tetrachloromethane 549.84 n-pentyl acetate 727.96 transcutol 3196.81 n-heptanol 329.48 ethylbenzene 654.77 MIBK 708.11 2-propoxyethanol 884.03 tert-butanol 617.05 MTBE 815.7 2-butoxyethanol 470.5 propionic acid 592.49 o-xylene 538.23 formic acid 95.12 diethyl ether 1512.53 m-xylene 607.33 p-xylene 778.22 chlorobenzene 1972.93 dimethyl carbonate 605.72 n-octane 148.23 formamide 231.92 cyclopentanone 2944.24 2-pentanone 1557.2 anisole 1062.02 cyclopentyl methyl ether 1546.13 gamma-butyrolactone 2484.41 1-methoxy-2-propanol 708.19 pyridine 2917.6 3-pentanone 1281.45 furfural 2044.04 n-dodecane 107.8 diethylene glycol 396.05 diisopropyl ether 414.54 tert-amyl alcohol 522.95 acetylacetone 1608.39 n-hexadecane 126.82 acetophenone 911.92 methyl propionate 1174.27 isopentyl acetate 1313.8 trichloroethylene 5963.49 n-nonanol 436.96 cyclohexanol 774.14 benzyl alcohol 540.69 2-ethylhexanol 641.59 isooctanol 278.5 dipropyl ether 1168.69 1,2-dichlorobenzene 1557.87 ethyl lactate 313.94 propylene carbonate 1581.6 n-methylformamide 702.07 2-pentanol 480.77 n-pentane 363.64 1-propoxy-2-propanol 792.49 1-methoxy-2-propyl acetate 988.61 2-(2-methoxypropoxy) propanol 580.66 mesitylene 383.91 ε-caprolactone 1767.07 p-cymene 351.88 epichlorohydrin 2807.73 1,1,1-trichloroethane 2587.01 2-aminoethanol 158.89 morpholine-4-carbaldehyde 1492.88 sulfolane 2893.15 2,2,4-trimethylpentane 116.24 2-methyltetrahydrofuran 2082.23 n-hexyl acetate 1217.18 isooctane 104.9 2-(2-butoxyethoxy)ethanol 821.04 sec-butyl acetate 578.87 tert-butyl acetate 775.0 decalin 300.36 glycerin 176.05 diglyme 1620.85 acrylic acid 574.7 isopropyl myristate 495.42 n-butyric acid 1039.25 acetyl acetate 913.52 di(2-ethylhexyl) phthalate 334.02 ethyl propionate 880.98 nitromethane 1708.64 1,2-diethoxyethane 1462.49 benzonitrile 1254.66 trioctyl phosphate 258.75 1-bromopropane 2167.46 gamma-valerolactone 2242.5 n-decanol 335.97 triethyl phosphate 377.08 4-methyl-2-pentanol 277.93 propionitrile 943.48 vinylene carbonate 1371.81 1,1,2-trichlorotrifluoroethane 1450.79 DMS 947.25 cumene 366.23 2-octanol 276.84 2-hexanone 1231.53 octyl acetate 607.93 limonene 584.73 1,2-dimethoxyethane 1380.72 ethyl orthosilicate 341.87 tributyl phosphate 380.51 diacetone alcohol 656.35 N,N-dimethylaniline 641.84 acrylonitrile 1137.19 aniline 998.2 1,3-propanediol 297.44 bromobenzene 2602.41 dibromomethane 3611.22 1,1,2,2-tetrachloroethane 4350.7 2-methyl-cyclohexyl acetate 648.4 tetrabutyl urea 515.22 diisobutyl methanol 346.64 2-phenylethanol 622.27 styrene 1064.37 dioctyl adipate 635.53 dimethyl sulfate 944.48 ethyl butyrate 1126.57 methyl lactate 394.82 butyl lactate 468.71 diethyl carbonate 726.83 propanediol butyl ether 503.63 triethyl orthoformate 620.95 p-tert-butyltoluene 319.67 methyl 4-tert-butylbenzoate 573.4 morpholine 1911.28 tert-butylamine 487.55 n-dodecanol 278.68 dimethoxymethane 1472.97 ethylene carbonate 1076.77 cyrene 412.77 2-ethoxyethyl acetate 840.14 2-ethylhexyl acetate 1071.07 1,2,4-trichlorobenzene 1661.21 4-methylpyridine 2550.13 dibutyl ether 1229.46 2,6-dimethyl-4-heptanol 346.64 DEF 1561.96 dimethyl isosorbide 984.68 tetrachloroethylene 2321.27 eugenol 539.55 triacetin 786.79 span 80 590.71 1,4-butanediol 129.24 1,1-dichloroethane 2922.27 2-methyl-1-pentanol 438.37 methyl formate 666.35 2-methyl-1-butanol 507.32 n-decane 186.34 butyronitrile 1141.59 3,7-dimethyl-1-octanol 495.91 1-chlorooctane 649.69 1-chlorotetradecane 264.38 n-nonane 213.44 undecane 135.87 tert-butylcyclohexane 223.33 cyclooctane 285.43 cyclopentanol 735.28 tetrahydropyran 2530.31 tert-amyl methyl ether 617.66 2,5,8-trioxanonane 1025.16 1-hexene 1416.1 2-isopropoxyethanol 347.41 2,2,2-trifluoroethanol 201.14 methyl butyrate 1244.93 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
|
Category 1
Products applied to the lips
|
No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
No restriction |
|
Category 2
Products applied to the axillae
|
No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
|
No restriction |
|
Category 3
Products applied to the face/body using fingertips
|
No restriction |
Category 8
Products with significant anogenital exposure
|
No restriction |
|
Category 4
Products related to fine fragrance
|
No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
|
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
|
No restriction |
|
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 |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
|
No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
|
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 |
|
Category 6
Products with oral and lip exposure
|
No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |