(2R)-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol
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Identifiers
Molecular formula
C13H24OSMILES
CC1=C(C(CCC1)(C)C)CC[C@@H](C)O
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Odor profile
Fragrance Woody 79.16% Floral 74.79% Sweet 59.14% Powdery 51.15% Violet 46.44% Amber 45.99% Fruity 45.6% Musk 44.76% Berry 42.4% Orris 40.72% Flavor Woody 75.28% Floral 71.26% Sweet 44.12% Amber 35.73% Wood 33.13% Flower 31.7% Citrus 30.56% Mild 30.47% Herbal 29.38% Earthy 27.68% Odor impact est.
Medium -
Properties
XLogP3-AA
3.2pKa est.
10.53 (weak base)Molecular weight
196.33 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
SlowBoiling point est.
260°CFlash point
- 110.45 ˚C est.
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Applications
This chiral terpenoid alcohol is primarily used as a fragrance ingredient and as a synthetic intermediate in the aroma chemicals industry. In practice, (2R)-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol is regarded as an odorant or fragrance fixative for perfumes and personal care products, and may also serve as a building block or intermediate for the synthesis of more complex aroma compounds. It is used in household and cleaning products to impart a characteristic scent, and in industrial manufacturing as an intermediate to develop additional fragrance chemicals, with usage constrained by local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 2531.94 methanol 2494.09 isopropanol 1795.85 water 0.96 ethyl acetate 1660.57 n-propanol 2015.51 acetone 1813.11 n-butanol 1815.68 acetonitrile 1648.2 DMF 1294.41 toluene 719.46 isobutanol 1161.39 1,4-dioxane 3369.5 methyl acetate 1187.45 THF 4807.09 2-butanone 1437.97 n-pentanol 727.0 sec-butanol 1066.98 n-hexane 152.4 ethylene glycol 144.82 NMP 807.79 cyclohexane 373.4 DMSO 847.17 n-butyl acetate 1574.44 n-octanol 454.66 chloroform 2222.32 n-propyl acetate 740.36 acetic acid 718.16 dichloromethane 2058.74 cyclohexanone 1666.48 propylene glycol 299.84 isopropyl acetate 929.52 DMAc 654.89 2-ethoxyethanol 745.22 isopentanol 1149.22 n-heptane 219.25 ethyl formate 978.33 1,2-dichloroethane 1156.3 n-hexanol 1580.34 2-methoxyethanol 1860.0 isobutyl acetate 474.53 tetrachloromethane 389.14 n-pentyl acetate 592.36 transcutol 2849.78 n-heptanol 533.79 ethylbenzene 242.68 MIBK 651.33 2-propoxyethanol 1842.91 tert-butanol 1675.75 MTBE 1510.56 2-butoxyethanol 795.81 propionic acid 709.76 o-xylene 297.26 formic acid 202.37 diethyl ether 2039.3 m-xylene 404.3 p-xylene 323.64 chlorobenzene 684.94 dimethyl carbonate 255.75 n-octane 59.51 formamide 352.62 cyclopentanone 1876.47 2-pentanone 1316.96 anisole 508.67 cyclopentyl methyl ether 1458.57 gamma-butyrolactone 1809.36 1-methoxy-2-propanol 1269.3 pyridine 1481.94 3-pentanone 768.28 furfural 1049.54 n-dodecane 37.33 diethylene glycol 701.5 diisopropyl ether 497.42 tert-amyl alcohol 870.07 acetylacetone 956.33 n-hexadecane 43.62 acetophenone 366.5 methyl propionate 920.88 isopentyl acetate 1128.07 trichloroethylene 1673.58 n-nonanol 380.81 cyclohexanol 1036.21 benzyl alcohol 362.53 2-ethylhexanol 758.63 isooctanol 364.3 dipropyl ether 1231.77 1,2-dichlorobenzene 480.2 ethyl lactate 203.36 propylene carbonate 846.65 n-methylformamide 873.94 2-pentanol 817.08 n-pentane 202.41 1-propoxy-2-propanol 1329.67 1-methoxy-2-propyl acetate 1084.07 2-(2-methoxypropoxy) propanol 513.46 mesitylene 243.06 ε-caprolactone 1306.52 p-cymene 242.02 epichlorohydrin 1889.67 1,1,1-trichloroethane 1045.81 2-aminoethanol 514.06 morpholine-4-carbaldehyde 1256.46 sulfolane 1022.07 2,2,4-trimethylpentane 76.33 2-methyltetrahydrofuran 2679.21 n-hexyl acetate 810.25 isooctane 75.6 2-(2-butoxyethoxy)ethanol 862.1 sec-butyl acetate 450.99 tert-butyl acetate 869.91 decalin 97.12 glycerin 304.11 diglyme 1444.92 acrylic acid 385.26 isopropyl myristate 272.59 n-butyric acid 1407.76 acetyl acetate 679.95 di(2-ethylhexyl) phthalate 234.12 ethyl propionate 562.28 nitromethane 1198.29 1,2-diethoxyethane 1367.37 benzonitrile 615.59 trioctyl phosphate 197.57 1-bromopropane 993.31 gamma-valerolactone 2087.95 n-decanol 256.63 triethyl phosphate 228.11 4-methyl-2-pentanol 422.23 propionitrile 1512.02 vinylene carbonate 752.49 1,1,2-trichlorotrifluoroethane 718.95 DMS 415.32 cumene 163.07 2-octanol 309.02 2-hexanone 680.75 octyl acetate 351.66 limonene 437.86 1,2-dimethoxyethane 1532.5 ethyl orthosilicate 250.37 tributyl phosphate 237.76 diacetone alcohol 719.76 N,N-dimethylaniline 280.91 acrylonitrile 1073.58 aniline 752.21 1,3-propanediol 972.0 bromobenzene 707.66 dibromomethane 1395.75 1,1,2,2-tetrachloroethane 1165.26 2-methyl-cyclohexyl acetate 483.23 tetrabutyl urea 276.21 diisobutyl methanol 361.11 2-phenylethanol 554.04 styrene 296.85 dioctyl adipate 337.53 dimethyl sulfate 246.11 ethyl butyrate 836.4 methyl lactate 271.96 butyl lactate 396.8 diethyl carbonate 417.15 propanediol butyl ether 551.66 triethyl orthoformate 517.73 p-tert-butyltoluene 261.19 methyl 4-tert-butylbenzoate 388.03 morpholine 3701.01 tert-butylamine 1235.58 n-dodecanol 184.65 dimethoxymethane 1375.21 ethylene carbonate 734.58 cyrene 338.55 2-ethoxyethyl acetate 733.81 2-ethylhexyl acetate 864.53 1,2,4-trichlorobenzene 549.42 4-methylpyridine 1377.56 dibutyl ether 679.38 2,6-dimethyl-4-heptanol 361.11 DEF 955.32 dimethyl isosorbide 867.26 tetrachloroethylene 783.58 eugenol 335.95 triacetin 480.22 span 80 501.55 1,4-butanediol 196.58 1,1-dichloroethane 1268.11 2-methyl-1-pentanol 501.96 methyl formate 597.39 2-methyl-1-butanol 934.8 n-decane 79.65 butyronitrile 1793.48 3,7-dimethyl-1-octanol 406.24 1-chlorooctane 289.25 1-chlorotetradecane 100.02 n-nonane 82.02 undecane 51.73 tert-butylcyclohexane 97.62 cyclooctane 111.69 cyclopentanol 987.5 tetrahydropyran 3552.87 tert-amyl methyl ether 754.53 2,5,8-trioxanonane 844.29 1-hexene 491.82 2-isopropoxyethanol 496.34 2,2,2-trifluoroethanol 164.27 methyl butyrate 760.36 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 |