(4-Tert-butyl-2-methylcyclohexyl) acetate
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Identifiers
Molecular formula
C13H24O2SMILES
CC1CC(CCC1OC(=O)C)C(C)(C)C
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Odor profile
Fragrance Woody 77.48% Floral 67.47% Fruity 67.35% Herbal 65.85% Fresh 47.48% Pine 45.11% Sweet 44.92% Green 44.75% Spicy 44.67% Camphoreous 44.44% Flavor Sweet 66.15% Herbal 64.48% Woody 55.08% Citrus 37.74% Camphor 37.45% Pine 36.78% Tropical 35.2% Mint 34.5% Minty 34.35% Green 34.15% Odor impact est.
Medium -
Properties
XLogP3-AA
3.8pKa est.
8.82 (weak base)Molecular weight
212.33 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Moderately slowBoiling point est.
247°CFlash point
- 101.69 ˚C est.
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Applications
In perfumery, (4-Tert-butyl-2-methylcyclohexyl) acetate is used as an odorant and may function as a fragrance fixative to help extend note longevity. In cosmetics and personal care, it can serve as a fragrance ingredient in products such as lotions, shampoos, and creams. In household products, it is sometimes added to air fresheners, detergents, and cleaners to impart a lasting scent. In industrial manufacturing related to fragrance chemistry, it may act as an intermediate in the synthesis of aroma compounds or as a formulation component facilitating fragrance release.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 1324.06 methanol 1271.7 isopropanol 1874.17 water 1.7 ethyl acetate 2285.68 n-propanol 1269.59 acetone 2129.62 n-butanol 1258.43 acetonitrile 1340.43 DMF 2419.65 toluene 930.8 isobutanol 1343.91 1,4-dioxane 2330.85 methyl acetate 2008.75 THF 3818.21 2-butanone 2107.26 n-pentanol 743.95 sec-butanol 1434.17 n-hexane 303.62 ethylene glycol 300.89 NMP 1560.92 cyclohexane 315.51 DMSO 1354.92 n-butyl acetate 1592.13 n-octanol 733.19 chloroform 3414.28 n-propyl acetate 1031.83 acetic acid 824.43 dichloromethane 2403.04 cyclohexanone 2329.43 propylene glycol 683.36 isopropyl acetate 1940.1 DMAc 2139.49 2-ethoxyethanol 954.27 isopentanol 1350.16 n-heptane 139.1 ethyl formate 896.78 1,2-dichloroethane 1910.58 n-hexanol 1492.58 2-methoxyethanol 1643.86 isobutyl acetate 977.54 tetrachloromethane 649.51 n-pentyl acetate 885.07 transcutol 3291.99 n-heptanol 622.28 ethylbenzene 580.19 MIBK 1343.93 2-propoxyethanol 1920.52 tert-butanol 2717.72 MTBE 3252.07 2-butoxyethanol 963.53 propionic acid 1098.27 o-xylene 677.56 formic acid 235.78 diethyl ether 1801.67 m-xylene 876.23 p-xylene 756.92 chlorobenzene 1123.16 dimethyl carbonate 697.11 n-octane 95.35 formamide 318.75 cyclopentanone 2505.29 2-pentanone 1805.22 anisole 1119.67 cyclopentyl methyl ether 1954.51 gamma-butyrolactone 2400.64 1-methoxy-2-propanol 1917.77 pyridine 1278.96 3-pentanone 1346.76 furfural 1658.06 n-dodecane 79.29 diethylene glycol 1117.05 diisopropyl ether 906.97 tert-amyl alcohol 1967.56 acetylacetone 2013.63 n-hexadecane 92.01 acetophenone 891.33 methyl propionate 1591.1 isopentyl acetate 1691.83 trichloroethylene 2995.2 n-nonanol 617.5 cyclohexanol 1301.98 benzyl alcohol 703.69 2-ethylhexanol 789.61 isooctanol 563.91 dipropyl ether 816.3 1,2-dichlorobenzene 1039.53 ethyl lactate 513.2 propylene carbonate 1517.91 n-methylformamide 953.95 2-pentanol 1178.09 n-pentane 226.53 1-propoxy-2-propanol 1539.83 1-methoxy-2-propyl acetate 1798.5 2-(2-methoxypropoxy) propanol 910.74 mesitylene 592.45 ε-caprolactone 1948.98 p-cymene 370.92 epichlorohydrin 2748.63 1,1,1-trichloroethane 2673.9 2-aminoethanol 653.91 morpholine-4-carbaldehyde 1935.99 sulfolane 2392.26 2,2,4-trimethylpentane 176.64 2-methyltetrahydrofuran 2789.2 n-hexyl acetate 1466.63 isooctane 173.48 2-(2-butoxyethoxy)ethanol 1254.29 sec-butyl acetate 1007.96 tert-butyl acetate 2142.59 decalin 207.48 glycerin 666.25 diglyme 1958.41 acrylic acid 727.03 isopropyl myristate 553.48 n-butyric acid 1567.97 acetyl acetate 1340.06 di(2-ethylhexyl) phthalate 409.29 ethyl propionate 997.45 nitromethane 1537.97 1,2-diethoxyethane 1441.23 benzonitrile 963.91 trioctyl phosphate 335.27 1-bromopropane 1496.99 gamma-valerolactone 2824.22 n-decanol 459.1 triethyl phosphate 377.19 4-methyl-2-pentanol 898.4 propionitrile 1282.62 vinylene carbonate 1193.23 1,1,2-trichlorotrifluoroethane 1542.41 DMS 1122.39 cumene 460.47 2-octanol 527.41 2-hexanone 1103.06 octyl acetate 686.17 limonene 554.08 1,2-dimethoxyethane 1661.32 ethyl orthosilicate 391.83 tributyl phosphate 435.46 diacetone alcohol 1753.27 N,N-dimethylaniline 706.96 acrylonitrile 1220.34 aniline 1019.44 1,3-propanediol 865.55 bromobenzene 1279.79 dibromomethane 1809.53 1,1,2,2-tetrachloroethane 2982.53 2-methyl-cyclohexyl acetate 743.2 tetrabutyl urea 478.13 diisobutyl methanol 486.83 2-phenylethanol 949.01 styrene 646.95 dioctyl adipate 635.0 dimethyl sulfate 1033.91 ethyl butyrate 902.72 methyl lactate 781.39 butyl lactate 743.33 diethyl carbonate 571.47 propanediol butyl ether 1048.26 triethyl orthoformate 616.68 p-tert-butyltoluene 412.78 methyl 4-tert-butylbenzoate 880.68 morpholine 2508.27 tert-butylamine 1783.05 n-dodecanol 352.29 dimethoxymethane 1714.28 ethylene carbonate 1146.37 cyrene 672.04 2-ethoxyethyl acetate 1142.49 2-ethylhexyl acetate 1222.68 1,2,4-trichlorobenzene 1142.66 4-methylpyridine 1741.57 dibutyl ether 920.2 2,6-dimethyl-4-heptanol 486.83 DEF 1590.76 dimethyl isosorbide 1464.5 tetrachloroethylene 1596.32 eugenol 733.88 triacetin 1084.63 span 80 826.62 1,4-butanediol 408.04 1,1-dichloroethane 2644.56 2-methyl-1-pentanol 800.92 methyl formate 781.66 2-methyl-1-butanol 1180.7 n-decane 143.11 butyronitrile 1476.68 3,7-dimethyl-1-octanol 793.02 1-chlorooctane 571.96 1-chlorotetradecane 229.07 n-nonane 145.18 undecane 102.73 tert-butylcyclohexane 236.02 cyclooctane 133.48 cyclopentanol 1391.67 tetrahydropyran 2474.81 tert-amyl methyl ether 1903.56 2,5,8-trioxanonane 1187.54 1-hexene 834.06 2-isopropoxyethanol 920.88 2,2,2-trifluoroethanol 438.02 methyl butyrate 1149.04 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 |