3-Methyl-6-propan-2-ylidene-2-prop-2-enylcyclohexan-1-one
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Identifiers
Molecular formula
C13H20OSMILES
CC1CCC(=C(C)C)C(=O)C1CC=C
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Odor profile
Fragrance Herbal 78.11% Mint 71.65% Fruity 52.12% Spicy 50.25% Woody 47.9% Fresh 47.78% Green 45.81% Camphoreous 42.49% Cooling 39.71% Sweet 36.12% Flavor Herbal 60.93% Minty 52.47% Fresh 43.56% Spicy 41.73% Spice 39.42% Mint 38.02% Woody 34.88% Herb 29.91% Peppermint 26.98% Floral 26.79% Odor impact est.
Medium -
Properties
XLogP3-AA
3.9pKa est.
8.62 (weak base)Molecular weight
192.3 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
SlowBoiling point est.
262°CFlash point
- 102.29 ˚C est.
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Synonyms
- SCHEMBL3146565
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Applications
3-Methyl-6-propan-2-ylidene-2-prop-2-enylcyclohexan-1-one CAS number: is a synthetic intermediate that may find real-world use across several industries, including as a fragrance ingredient and fragrance intermediate in perfumery, as an aroma component in cosmetics/personal care, as a building block for polymers and plastics, and as a functional additive in coatings and inks.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 846.65 methanol 715.45 isopropanol 1107.01 water 0.85 ethyl acetate 662.16 n-propanol 929.6 acetone 894.93 n-butanol 989.97 acetonitrile 1071.69 DMF 999.42 toluene 771.11 isobutanol 822.63 1,4-dioxane 1434.2 methyl acetate 704.7 THF 1713.57 2-butanone 953.89 n-pentanol 571.88 sec-butanol 909.45 n-hexane 182.15 ethylene glycol 64.11 NMP 823.24 cyclohexane 374.37 DMSO 407.2 n-butyl acetate 752.0 n-octanol 381.42 chloroform 3295.96 n-propyl acetate 437.09 acetic acid 456.58 dichloromethane 2310.0 cyclohexanone 1591.82 propylene glycol 127.18 isopropyl acetate 436.24 DMAc 588.79 2-ethoxyethanol 390.44 isopentanol 818.61 n-heptane 106.31 ethyl formate 541.25 1,2-dichloroethane 1277.48 n-hexanol 855.76 2-methoxyethanol 647.9 isobutyl acetate 303.31 tetrachloromethane 513.0 n-pentyl acetate 453.15 transcutol 1099.61 n-heptanol 379.66 ethylbenzene 389.27 MIBK 457.14 2-propoxyethanol 711.85 tert-butanol 953.33 MTBE 829.41 2-butoxyethanol 424.11 propionic acid 462.25 o-xylene 411.81 formic acid 95.52 diethyl ether 866.32 m-xylene 497.93 p-xylene 489.56 chlorobenzene 954.69 dimethyl carbonate 170.82 n-octane 55.65 formamide 167.37 cyclopentanone 1339.83 2-pentanone 752.78 anisole 507.79 cyclopentyl methyl ether 746.98 gamma-butyrolactone 1222.0 1-methoxy-2-propanol 551.72 pyridine 1496.38 3-pentanone 520.22 furfural 893.54 n-dodecane 41.0 diethylene glycol 342.35 diisopropyl ether 268.98 tert-amyl alcohol 745.34 acetylacetone 522.65 n-hexadecane 48.84 acetophenone 428.57 methyl propionate 424.44 isopentyl acetate 689.52 trichloroethylene 2472.85 n-nonanol 312.94 cyclohexanol 982.04 benzyl alcohol 446.59 2-ethylhexanol 438.31 isooctanol 306.89 dipropyl ether 368.27 1,2-dichlorobenzene 670.98 ethyl lactate 176.64 propylene carbonate 706.72 n-methylformamide 464.84 2-pentanol 688.75 n-pentane 184.66 1-propoxy-2-propanol 535.64 1-methoxy-2-propyl acetate 462.65 2-(2-methoxypropoxy) propanol 318.49 mesitylene 314.93 ε-caprolactone 1083.13 p-cymene 243.19 epichlorohydrin 1370.89 1,1,1-trichloroethane 1466.12 2-aminoethanol 209.89 morpholine-4-carbaldehyde 765.1 sulfolane 826.41 2,2,4-trimethylpentane 82.95 2-methyltetrahydrofuran 1333.11 n-hexyl acetate 614.93 isooctane 77.07 2-(2-butoxyethoxy)ethanol 456.69 sec-butyl acetate 298.16 tert-butyl acetate 437.94 decalin 135.54 glycerin 142.34 diglyme 729.68 acrylic acid 351.05 isopropyl myristate 224.78 n-butyric acid 823.35 acetyl acetate 340.63 di(2-ethylhexyl) phthalate 196.64 ethyl propionate 325.76 nitromethane 684.77 1,2-diethoxyethane 550.29 benzonitrile 801.78 trioctyl phosphate 153.2 1-bromopropane 1077.83 gamma-valerolactone 1290.63 n-decanol 216.17 triethyl phosphate 168.98 4-methyl-2-pentanol 354.5 propionitrile 1054.37 vinylene carbonate 690.18 1,1,2-trichlorotrifluoroethane 620.5 DMS 333.13 cumene 258.24 2-octanol 305.92 2-hexanone 533.86 octyl acetate 278.6 limonene 333.64 1,2-dimethoxyethane 776.45 ethyl orthosilicate 174.16 tributyl phosphate 177.51 diacetone alcohol 426.75 N,N-dimethylaniline 311.84 acrylonitrile 935.35 aniline 731.29 1,3-propanediol 418.97 bromobenzene 1016.42 dibromomethane 1750.37 1,1,2,2-tetrachloroethane 1754.03 2-methyl-cyclohexyl acetate 323.6 tetrabutyl urea 225.35 diisobutyl methanol 239.38 2-phenylethanol 513.83 styrene 466.8 dioctyl adipate 255.34 dimethyl sulfate 225.12 ethyl butyrate 394.48 methyl lactate 188.6 butyl lactate 300.29 diethyl carbonate 263.22 propanediol butyl ether 368.68 triethyl orthoformate 271.13 p-tert-butyltoluene 228.35 methyl 4-tert-butylbenzoate 355.74 morpholine 1547.08 tert-butylamine 692.17 n-dodecanol 159.59 dimethoxymethane 521.94 ethylene carbonate 607.41 cyrene 299.31 2-ethoxyethyl acetate 439.37 2-ethylhexyl acetate 515.49 1,2,4-trichlorobenzene 748.34 4-methylpyridine 1511.74 dibutyl ether 400.21 2,6-dimethyl-4-heptanol 239.38 DEF 612.65 dimethyl isosorbide 556.08 tetrachloroethylene 1130.23 eugenol 336.95 triacetin 348.83 span 80 326.29 1,4-butanediol 166.03 1,1-dichloroethane 1739.5 2-methyl-1-pentanol 537.11 methyl formate 373.47 2-methyl-1-butanol 808.09 n-decane 75.4 butyronitrile 1266.93 3,7-dimethyl-1-octanol 325.68 1-chlorooctane 296.84 1-chlorotetradecane 107.31 n-nonane 76.52 undecane 53.74 tert-butylcyclohexane 119.09 cyclooctane 106.69 cyclopentanol 866.92 tetrahydropyran 1866.61 tert-amyl methyl ether 509.35 2,5,8-trioxanonane 456.76 1-hexene 520.51 2-isopropoxyethanol 301.62 2,2,2-trifluoroethanol 158.01 methyl butyrate 507.75 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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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 |