Methyl 2-methyl-2-(4-methylcyclohexyl)propanoate
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Identifiers
Molecular formula
C12H22O2SMILES
CC1CCC(CC1)C(C)(C)C(=O)OC
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Odor profile
Fragrance Fruity 63.64% Woody 60.38% Herbal 57.71% Floral 49.83% Fresh 42.11% Sweet 37.48% Green 36.44% Spicy 32.28% Citrus 31.95% Dry 31.79% Flavor Green 47.48% Fruity 43.6% Woody 41.26% Herbal 40.33% Sweet 37.68% Tropical 32.3% Citrus 29.98% Pine 27.36% Camphor 26.78% Fruit 25.74% Odor impact est.
High -
Properties
XLogP3-AA
4.0pKa est.
8.6 (weak base)Molecular weight
198.3 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Moderately slowBoiling point est.
232°CFlash point
- 97.87 ˚C est.
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Applications
Typically used in fragrance chemistry as an odorant and potential fixative, Methyl 2-methyl-2-(4-methylcyclohexyl)propanoate also serves as a fragrance ingredient in cosmetics and personal care products. It is commonly evaluated as an aroma intermediate in industrial manufacturing and may appear as a scented additive in household cleaners and other consumer products. In coatings, inks and polymer/plastics formulations, it may be used to impart fragrance, within regulatory limits. It is sometimes considered for flavor-related applications where permitted, though such use depends on regional approvals.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 1495.48 methanol 1564.06 isopropanol 1638.45 water 0.72 ethyl acetate 2112.01 n-propanol 1492.54 acetone 1847.97 n-butanol 1386.5 acetonitrile 2256.18 DMF 1799.23 toluene 1376.8 isobutanol 1164.61 1,4-dioxane 2968.44 methyl acetate 1665.31 THF 3003.06 2-butanone 1865.12 n-pentanol 745.75 sec-butanol 1253.62 n-hexane 148.2 ethylene glycol 103.68 NMP 1338.65 cyclohexane 391.78 DMSO 852.6 n-butyl acetate 1685.17 n-octanol 456.2 chloroform 5703.33 n-propyl acetate 1107.29 acetic acid 1051.96 dichloromethane 4453.89 cyclohexanone 2594.31 propylene glycol 214.05 isopropyl acetate 1322.33 DMAc 1064.11 2-ethoxyethanol 851.99 isopentanol 1255.76 n-heptane 86.23 ethyl formate 1383.92 1,2-dichloroethane 2560.83 n-hexanol 1096.86 2-methoxyethanol 1575.49 isobutyl acetate 683.47 tetrachloromethane 1153.15 n-pentyl acetate 879.34 transcutol 2605.36 n-heptanol 511.6 ethylbenzene 672.71 MIBK 946.07 2-propoxyethanol 1283.07 tert-butanol 1926.02 MTBE 2141.63 2-butoxyethanol 786.5 propionic acid 940.9 o-xylene 767.68 formic acid 307.71 diethyl ether 1818.23 m-xylene 836.85 p-xylene 908.26 chlorobenzene 1944.38 dimethyl carbonate 451.1 n-octane 42.35 formamide 587.87 cyclopentanone 2382.29 2-pentanone 1556.86 anisole 1170.53 cyclopentyl methyl ether 1458.53 gamma-butyrolactone 2643.88 1-methoxy-2-propanol 1169.67 pyridine 2721.73 3-pentanone 1064.41 furfural 2178.68 n-dodecane 28.68 diethylene glycol 594.22 diisopropyl ether 558.94 tert-amyl alcohol 1395.81 acetylacetone 1274.2 n-hexadecane 35.8 acetophenone 952.17 methyl propionate 1227.92 isopentyl acetate 1368.01 trichloroethylene 4971.43 n-nonanol 378.26 cyclohexanol 1284.7 benzyl alcohol 789.59 2-ethylhexanol 614.58 isooctanol 444.83 dipropyl ether 648.21 1,2-dichlorobenzene 1565.21 ethyl lactate 344.47 propylene carbonate 1528.22 n-methylformamide 1241.07 2-pentanol 989.81 n-pentane 163.32 1-propoxy-2-propanol 1008.07 1-methoxy-2-propyl acetate 1170.37 2-(2-methoxypropoxy) propanol 573.55 mesitylene 529.68 ε-caprolactone 2157.41 p-cymene 387.64 epichlorohydrin 2906.44 1,1,1-trichloroethane 3392.57 2-aminoethanol 389.77 morpholine-4-carbaldehyde 1639.36 sulfolane 1786.35 2,2,4-trimethylpentane 102.57 2-methyltetrahydrofuran 2383.66 n-hexyl acetate 1049.36 isooctane 95.11 2-(2-butoxyethoxy)ethanol 843.04 sec-butyl acetate 812.55 tert-butyl acetate 1175.89 decalin 160.73 glycerin 254.08 diglyme 1566.29 acrylic acid 690.74 isopropyl myristate 325.9 n-butyric acid 1741.45 acetyl acetate 1047.9 di(2-ethylhexyl) phthalate 303.55 ethyl propionate 899.32 nitromethane 2030.44 1,2-diethoxyethane 1156.42 benzonitrile 1567.76 trioctyl phosphate 217.16 1-bromopropane 1584.09 gamma-valerolactone 2866.2 n-decanol 238.76 triethyl phosphate 317.1 4-methyl-2-pentanol 551.15 propionitrile 2082.51 vinylene carbonate 1529.28 1,1,2-trichlorotrifluoroethane 1442.49 DMS 682.86 cumene 403.56 2-octanol 364.45 2-hexanone 989.87 octyl acetate 423.22 limonene 517.51 1,2-dimethoxyethane 1634.55 ethyl orthosilicate 327.64 tributyl phosphate 286.0 diacetone alcohol 981.4 N,N-dimethylaniline 628.88 acrylonitrile 2071.46 aniline 1397.22 1,3-propanediol 797.56 bromobenzene 2134.41 dibromomethane 3020.86 1,1,2,2-tetrachloroethane 3670.89 2-methyl-cyclohexyl acetate 619.08 tetrabutyl urea 310.87 diisobutyl methanol 354.95 2-phenylethanol 813.63 styrene 861.44 dioctyl adipate 416.76 dimethyl sulfate 520.26 ethyl butyrate 930.4 methyl lactate 403.19 butyl lactate 569.86 diethyl carbonate 580.71 propanediol butyl ether 614.14 triethyl orthoformate 576.85 p-tert-butyltoluene 386.43 methyl 4-tert-butylbenzoate 670.21 morpholine 3161.21 tert-butylamine 1354.06 n-dodecanol 162.56 dimethoxymethane 1179.1 ethylene carbonate 1298.67 cyrene 494.12 2-ethoxyethyl acetate 1013.47 2-ethylhexyl acetate 1010.96 1,2,4-trichlorobenzene 1698.65 4-methylpyridine 2703.11 dibutyl ether 552.4 2,6-dimethyl-4-heptanol 354.95 DEF 1396.04 dimethyl isosorbide 1041.28 tetrachloroethylene 2430.27 eugenol 607.27 triacetin 704.25 span 80 523.36 1,4-butanediol 250.95 1,1-dichloroethane 3352.7 2-methyl-1-pentanol 724.28 methyl formate 906.69 2-methyl-1-butanol 1071.97 n-decane 59.96 butyronitrile 2096.02 3,7-dimethyl-1-octanol 474.45 1-chlorooctane 349.16 1-chlorotetradecane 106.14 n-nonane 57.57 undecane 39.44 tert-butylcyclohexane 145.6 cyclooctane 112.11 cyclopentanol 1186.7 tetrahydropyran 2917.14 tert-amyl methyl ether 1057.55 2,5,8-trioxanonane 850.11 1-hexene 562.01 2-isopropoxyethanol 617.02 2,2,2-trifluoroethanol 411.62 methyl butyrate 1241.4 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 |