trans-2-tert-Butylcyclohexan-1-ol

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  • Identifiers

    CAS number
    5448-22-6

    Molecular formula
    C10H20O

    SMILES
    CC(C)(C)[C@@H]1CCCC[C@H]1O

  • Odor profile

    Woody 76.1%
    Camphoreous 75.92%
    Mint 71.44%
    Herbal 57.66%
    Earthy 57.0%
    Pine 54.21%
    Cooling 46.68%
    Musty 42.6%
    Leathery 41.09%
    Dry 35.26%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    220°C

    Flash point est.
    84.35 ˚C

  • Synonyms

    • trans-2-tert-Butylcyclohexan-1-ol
    • 5448-22-6
    • 98104-30-4
    • (1R,2S)-2-tert-butylcyclohexan-1-ol
    • (-)-trans-2-tert-butylcyclohexanol
    • 13492-07-4
    • trans-2-tert-Butylcyclohexanol
    • Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2S)-
    • 7KM55MK799
    • Cyclohexanol, 2-tert-butyl-, trans-
    • (1R,2S)-2-(tert-Butyl)cyclohexan-1-ol
    • Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2S)-rel-
    • UNII-7KM55MK799
    • J415.407J
    • 9T74YJB0Y3
    • (1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol
    • 2-tert-Butylcyclohexanol, trans-
    • Cyclohexanol, 2-(1,1-dimethylethyl)-, trans-
    • (1R)-2alpha-(1,1-Dimethylethyl)-1beta-cyclohexanol
    • Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R-trans)-
    • NSC-17482
    • (+)-Trans-2-tert-butylcyclohexanol
    • NSC 17482
    • rac-(1R,2S)-2-tert-butylcyclohexan-1-ol
    • trans-2-t-butylcyclohexanol
    • UNII-9T74YJB0Y3
    • (-)-TRANS-2-TERT-BUTYLCYCLOHEXANOL 99+%
    • SCHEMBL3789716
    • DTXSID0052201
    • EINECS 226-670-6
    • (1R,2S)-2-(tert-Butyl)cyclohexanol
    • AKOS006237378
    • J422.743C
    • EN300-1636873
    • Cyclohexanol,2-(1,1-dimethylethyl)-,(1S,2R)-
    • Q27273161
    • REL-(1R*,2S*)-2-TERT-BUTYL-1-CYCLOHEXANOL
    • (1R)-2.ALPHA.-(1,1-DIMETHYLETHYL)-1.BETA.-CYCLOHEXANOL

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1140.27
    methanol 1040.0
    isopropanol 1356.36
    water 1.07
    ethyl acetate 960.87
    n-propanol 1176.23
    acetone 1076.04
    n-butanol 1168.16
    acetonitrile 979.04
    DMF 747.16
    toluene 534.28
    isobutanol 1064.56
    1,4-dioxane 1887.6
    methyl acetate 897.78
    THF 3599.56
    2-butanone 1033.02
    n-pentanol 650.98
    sec-butanol 1078.58
    n-hexane 599.77
    ethylene glycol 119.16
    NMP 818.71
    cyclohexane 670.72
    DMSO 699.56
    n-butyl acetate 1319.71
    n-octanol 678.83
    chloroform 1878.97
    n-propyl acetate 640.62
    acetic acid 553.3
    dichloromethane 1211.69
    cyclohexanone 1541.9
    propylene glycol 256.64
    isopropyl acetate 745.59
    DMAc 478.75
    2-ethoxyethanol 505.41
    isopentanol 1065.12
    n-heptane 545.41
    ethyl formate 543.58
    1,2-dichloroethane 863.86
    n-hexanol 1696.3
    2-methoxyethanol 806.12
    isobutyl acetate 523.58
    tetrachloromethane 515.84
    n-pentyl acetate 618.01
    transcutol 1533.97
    n-heptanol 699.16
    ethylbenzene 300.52
    MIBK 747.41
    2-propoxyethanol 1326.29
    tert-butanol 1759.41
    MTBE 1759.19
    2-butoxyethanol 694.51
    propionic acid 686.3
    o-xylene 355.99
    formic acid 131.11
    diethyl ether 1437.31
    m-xylene 458.28
    p-xylene 404.08
    chlorobenzene 627.93
    dimethyl carbonate 210.95
    n-octane 186.75
    formamide 131.63
    cyclopentanone 1782.15
    2-pentanone 977.29
    anisole 466.49
    cyclopentyl methyl ether 1565.12
    gamma-butyrolactone 1693.61
    1-methoxy-2-propanol 857.93
    pyridine 881.46
    3-pentanone 660.26
    furfural 896.12
    n-dodecane 113.66
    diethylene glycol 561.34
    diisopropyl ether 684.29
    tert-amyl alcohol 1207.89
    acetylacetone 678.27
    n-hexadecane 130.13
    acetophenone 343.36
    methyl propionate 654.57
    isopentyl acetate 1174.1
    trichloroethylene 1317.91
    n-nonanol 552.38
    cyclohexanol 1145.04
    benzyl alcohol 308.32
    2-ethylhexanol 997.24
    isooctanol 576.67
    dipropyl ether 1236.51
    1,2-dichlorobenzene 510.48
    ethyl lactate 244.05
    propylene carbonate 955.72
    n-methylformamide 475.94
    2-pentanol 947.91
    n-pentane 511.21
    1-propoxy-2-propanol 1219.68
    1-methoxy-2-propyl acetate 856.3
    2-(2-methoxypropoxy) propanol 462.39
    mesitylene 361.72
    ε-caprolactone 1197.82
    p-cymene 331.74
    epichlorohydrin 1470.28
    1,1,1-trichloroethane 1272.43
    2-aminoethanol 325.12
    morpholine-4-carbaldehyde 826.48
    sulfolane 1522.3
    2,2,4-trimethylpentane 237.98
    2-methyltetrahydrofuran 2331.68
    n-hexyl acetate 916.13
    isooctane 261.1
    2-(2-butoxyethoxy)ethanol 720.69
    sec-butyl acetate 480.13
    tert-butyl acetate 924.59
    decalin 253.9
    glycerin 272.98
    diglyme 1067.95
    acrylic acid 430.12
    isopropyl myristate 377.01
    n-butyric acid 998.26
    acetyl acetate 477.38
    di(2-ethylhexyl) phthalate 238.68
    ethyl propionate 492.68
    nitromethane 777.01
    1,2-diethoxyethane 862.67
    benzonitrile 545.02
    trioctyl phosphate 241.51
    1-bromopropane 1044.89
    gamma-valerolactone 1578.72
    n-decanol 400.89
    triethyl phosphate 251.77
    4-methyl-2-pentanol 674.66
    propionitrile 1124.7
    vinylene carbonate 666.09
    1,1,2-trichlorotrifluoroethane 659.0
    DMS 409.87
    cumene 251.41
    2-octanol 506.87
    2-hexanone 720.08
    octyl acetate 425.65
    limonene 588.1
    1,2-dimethoxyethane 1021.38
    ethyl orthosilicate 276.76
    tributyl phosphate 271.21
    diacetone alcohol 801.39
    N,N-dimethylaniline 305.03
    acrylonitrile 856.86
    aniline 539.57
    1,3-propanediol 499.86
    bromobenzene 663.5
    dibromomethane 1062.74
    1,1,2,2-tetrachloroethane 1192.75
    2-methyl-cyclohexyl acetate 540.73
    tetrabutyl urea 305.14
    diisobutyl methanol 614.3
    2-phenylethanol 554.38
    styrene 339.55
    dioctyl adipate 352.84
    dimethyl sulfate 294.38
    ethyl butyrate 698.14
    methyl lactate 278.94
    butyl lactate 418.58
    diethyl carbonate 384.18
    propanediol butyl ether 583.33
    triethyl orthoformate 497.57
    p-tert-butyltoluene 355.63
    methyl 4-tert-butylbenzoate 468.0
    morpholine 1838.73
    tert-butylamine 1540.59
    n-dodecanol 308.12
    dimethoxymethane 664.18
    ethylene carbonate 651.83
    cyrene 331.49
    2-ethoxyethyl acetate 538.01
    2-ethylhexyl acetate 879.17
    1,2,4-trichlorobenzene 564.91
    4-methylpyridine 906.04
    dibutyl ether 893.47
    2,6-dimethyl-4-heptanol 614.3
    DEF 666.2
    dimethyl isosorbide 772.17
    tetrachloroethylene 760.65
    eugenol 371.6
    triacetin 465.52
    span 80 516.48
    1,4-butanediol 193.42
    1,1-dichloroethane 1288.48
    2-methyl-1-pentanol 546.96
    methyl formate 378.94
    2-methyl-1-butanol 883.24
    n-decane 213.3
    butyronitrile 1381.81
    3,7-dimethyl-1-octanol 671.04
    1-chlorooctane 544.93
    1-chlorotetradecane 202.78
    n-nonane 242.49
    undecane 149.61
    tert-butylcyclohexane 287.33
    cyclooctane 276.82
    cyclopentanol 1245.07
    tetrahydropyran 2408.99
    tert-amyl methyl ether 1003.17
    2,5,8-trioxanonane 646.0
    1-hexene 1017.19
    2-isopropoxyethanol 466.79
    2,2,2-trifluoroethanol 185.88
    methyl butyrate 629.43

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
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