(5-Methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
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Identifiers
Molecular formula
C15H25NO3SMILES
CC1CCC(C(C1)OC(=O)N2CCCC2=O)C(C)C
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Odor profile
Fragrance Mint 57.42% Cooling 53.34% Odorless 47.65% Herbal 46.5% Woody 27.57% Fresh 26.02% Spicy 22.19% Camphoreous 21.9% Pine 19.4% Balsamic 19.11% Flavor Bitter 60.05% Cedarleaf 22.58% Odorless 22.05% Herbal 21.56% Lovage 20.97% Bland 20.4% Ripe apricot 20.01% Parsley 19.94% Leaves 19.91% Heather 19.79% Odor impact est.
Low -
Properties
XLogP3-AA
3.5pKa est.
7.28 (neutral)Molecular weight
267.36 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
351°CFlash point
- 144.77 ˚C est.
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Synonyms
- SCHEMBL121837
- CHEBI:174327
- (5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
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Applications
Primarily used as an intermediate and building block in pharmaceutical and agrochemical synthesis, enabling the construction of heterocyclic and chiral molecules. It can serve as a functionalized lactam scaffold in polymer and coating chemistries, allowing incorporation into specialty polymers or resin systems. In medicinal chemistry, it is often evaluated as a chiral precursor or ligand-building block for catalytic steps. It may also appear in research and development contexts as a reactive intermediate for library synthesis, with its use subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 1029.03 methanol 1117.32 isopropanol 1076.14 water 0.82 ethyl acetate 1108.18 n-propanol 817.28 acetone 1498.24 n-butanol 791.97 acetonitrile 684.83 DMF 1407.59 toluene 541.6 isobutanol 689.17 1,4-dioxane 1336.15 methyl acetate 833.77 THF 2466.04 2-butanone 1103.84 n-pentanol 394.78 sec-butanol 752.89 n-hexane 13.16 ethylene glycol 98.65 NMP 1598.88 cyclohexane 51.01 DMSO 1008.43 n-butyl acetate 645.02 n-octanol 125.84 chloroform 3621.64 n-propyl acetate 472.46 acetic acid 1422.41 dichloromethane 2753.15 cyclohexanone 1831.27 propylene glycol 259.39 isopropyl acetate 864.1 DMAc 1216.96 2-ethoxyethanol 497.99 isopentanol 749.44 n-heptane 5.8 ethyl formate 649.78 1,2-dichloroethane 1631.62 n-hexanol 373.41 2-methoxyethanol 1084.8 isobutyl acetate 342.97 tetrachloromethane 260.71 n-pentyl acetate 376.47 transcutol 1629.94 n-heptanol 151.95 ethylbenzene 164.76 MIBK 612.31 2-propoxyethanol 756.76 tert-butanol 921.63 MTBE 632.53 2-butoxyethanol 407.07 propionic acid 760.23 o-xylene 251.1 formic acid 399.57 diethyl ether 531.63 m-xylene 325.04 p-xylene 273.55 chlorobenzene 968.35 dimethyl carbonate 306.55 n-octane 3.71 formamide 603.04 cyclopentanone 1896.54 2-pentanone 986.36 anisole 381.23 cyclopentyl methyl ether 866.02 gamma-butyrolactone 2076.04 1-methoxy-2-propanol 912.17 pyridine 1489.79 3-pentanone 549.71 furfural 1403.92 n-dodecane 4.74 diethylene glycol 485.67 diisopropyl ether 155.82 tert-amyl alcohol 625.04 acetylacetone 1123.13 n-hexadecane 5.86 acetophenone 436.04 methyl propionate 687.74 isopentyl acetate 610.53 trichloroethylene 3522.17 n-nonanol 118.73 cyclohexanol 771.38 benzyl alcohol 418.25 2-ethylhexanol 167.41 isooctanol 128.14 dipropyl ether 118.82 1,2-dichlorobenzene 728.49 ethyl lactate 204.14 propylene carbonate 1162.32 n-methylformamide 742.56 2-pentanol 531.81 n-pentane 18.07 1-propoxy-2-propanol 459.12 1-methoxy-2-propyl acetate 619.84 2-(2-methoxypropoxy) propanol 358.04 mesitylene 165.73 ε-caprolactone 1540.38 p-cymene 87.58 epichlorohydrin 2354.79 1,1,1-trichloroethane 1556.51 2-aminoethanol 329.59 morpholine-4-carbaldehyde 1320.04 sulfolane 1693.41 2,2,4-trimethylpentane 18.5 2-methyltetrahydrofuran 1740.26 n-hexyl acetate 481.23 isooctane 13.97 2-(2-butoxyethoxy)ethanol 542.1 sec-butyl acetate 368.65 tert-butyl acetate 681.54 decalin 25.94 glycerin 307.64 diglyme 874.13 acrylic acid 599.75 isopropyl myristate 138.85 n-butyric acid 1448.68 acetyl acetate 722.15 di(2-ethylhexyl) phthalate 188.84 ethyl propionate 356.48 nitromethane 1729.07 1,2-diethoxyethane 459.83 benzonitrile 626.86 trioctyl phosphate 114.92 1-bromopropane 684.39 gamma-valerolactone 2290.94 n-decanol 82.84 triethyl phosphate 139.2 4-methyl-2-pentanol 296.15 propionitrile 522.18 vinylene carbonate 987.05 1,1,2-trichlorotrifluoroethane 1206.52 DMS 439.7 cumene 109.82 2-octanol 106.32 2-hexanone 426.14 octyl acetate 197.82 limonene 133.41 1,2-dimethoxyethane 772.07 ethyl orthosilicate 130.88 tributyl phosphate 155.65 diacetone alcohol 723.14 N,N-dimethylaniline 224.39 acrylonitrile 634.24 aniline 694.72 1,3-propanediol 681.62 bromobenzene 992.83 dibromomethane 1628.22 1,1,2,2-tetrachloroethane 2589.16 2-methyl-cyclohexyl acetate 273.81 tetrabutyl urea 186.85 diisobutyl methanol 103.0 2-phenylethanol 422.27 styrene 233.24 dioctyl adipate 223.78 dimethyl sulfate 460.54 ethyl butyrate 292.86 methyl lactate 349.75 butyl lactate 319.09 diethyl carbonate 204.48 propanediol butyl ether 359.63 triethyl orthoformate 198.12 p-tert-butyltoluene 84.27 methyl 4-tert-butylbenzoate 340.77 morpholine 1658.13 tert-butylamine 387.85 n-dodecanol 60.33 dimethoxymethane 767.53 ethylene carbonate 875.8 cyrene 383.35 2-ethoxyethyl acetate 569.04 2-ethylhexyl acetate 417.69 1,2,4-trichlorobenzene 899.65 4-methylpyridine 1560.41 dibutyl ether 128.77 2,6-dimethyl-4-heptanol 103.0 DEF 884.74 dimethyl isosorbide 661.39 tetrachloroethylene 1359.83 eugenol 340.61 triacetin 392.8 span 80 333.11 1,4-butanediol 202.18 1,1-dichloroethane 1984.44 2-methyl-1-pentanol 411.36 methyl formate 551.08 2-methyl-1-butanol 633.44 n-decane 7.24 butyronitrile 729.6 3,7-dimethyl-1-octanol 158.79 1-chlorooctane 72.27 1-chlorotetradecane 28.81 n-nonane 5.72 undecane 5.67 tert-butylcyclohexane 20.64 cyclooctane 11.59 cyclopentanol 886.37 tetrahydropyran 1481.14 tert-amyl methyl ether 371.77 2,5,8-trioxanonane 552.58 1-hexene 91.52 2-isopropoxyethanol 389.76 2,2,2-trifluoroethanol 468.41 methyl butyrate 572.2 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 |
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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 |