3-tert-Butylcyclohexanol

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  • Identifiers

    CAS number
    4534-70-7

    Molecular formula
    C10H20O

    SMILES
    CC(C)(C)C1CCCC(C1)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 76.12%
    Camphoreous 66.7%
    Mint 58.43%
    Earthy 46.69%
    Pine 43.93%
    Leathery 41.6%
    Dry 40.15%
    Herbal 39.98%
    Musty 35.67%
    Cooling 34.54%

     

    Flavor
    Woody 37.98%
    Minty 37.2%
    Herbal 33.54%
    Camphor 33.26%
    Sweet 31.47%
    Earthy 29.54%
    Green 28.39%
    Pine 27.14%
    Spice 27.14%
    Herb 25.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.32 (weak base)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point

    • 86.77 ˚C est.

  • Synonyms

    • 3-tert-Butylcyclohexanol
    • 4534-70-7
    • 3-tert-butylcyclohexan-1-ol,Mixtureofdiastereomers
    • 3-t-butylcyclohexanol
    • 3-tert-butylcyclohexan-1-ol
    • SCHEMBL636500
    • SCHEMBL4076041
    • SCHEMBL27579569
    • AKOS013839867
    • EN300-255369
    • 4534-70-7

  • Applications

    3-tert-Butylcyclohexanol (CAS 4534-70-7) is commonly used as an intermediate and fragrance ingredient in a range of industrial and consumer applications. In perfumery and cosmetics, it can serve as a fragrance component or as an intermediate to synthesize more complex aroma compounds. In household and cleaning product formulations, it may be considered as an odorant or scent-enhancing ingredient to support product fragrance. In industrial manufacturing, it can be used as an intermediate for chemical synthesis and as a building block or specialty additive for certain polymer systems. Specific uses depend on formulation requirements, local regulations, and compatibility with other ingredients.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 408.01
    methanol 282.25
    isopropanol 553.05
    water 0.85
    ethyl acetate 374.01
    n-propanol 437.12
    acetone 366.42
    n-butanol 433.61
    acetonitrile 253.19
    DMF 317.67
    toluene 179.13
    isobutanol 377.79
    1,4-dioxane 551.68
    methyl acetate 354.73
    THF 1041.16
    2-butanone 436.92
    n-pentanol 254.44
    sec-butanol 424.81
    n-hexane 122.31
    ethylene glycol 83.36
    NMP 263.31
    cyclohexane 133.87
    DMSO 276.68
    n-butyl acetate 475.05
    n-octanol 283.02
    chloroform 670.54
    n-propyl acetate 220.96
    acetic acid 153.31
    dichloromethane 386.48
    cyclohexanone 487.7
    propylene glycol 185.28
    isopropyl acetate 298.17
    DMAc 279.22
    2-ethoxyethanol 260.35
    isopentanol 392.72
    n-heptane 143.7
    ethyl formate 184.7
    1,2-dichloroethane 278.39
    n-hexanol 714.24
    2-methoxyethanol 406.13
    isobutyl acetate 196.07
    tetrachloromethane 163.16
    n-pentyl acetate 217.33
    transcutol 713.68
    n-heptanol 310.87
    ethylbenzene 129.33
    MIBK 282.34
    2-propoxyethanol 714.26
    tert-butanol 677.95
    MTBE 620.99
    2-butoxyethanol 368.16
    propionic acid 246.0
    o-xylene 142.76
    formic acid 43.9
    diethyl ether 436.32
    m-xylene 178.14
    p-xylene 159.46
    chlorobenzene 209.32
    dimethyl carbonate 98.38
    n-octane 54.93
    formamide 56.64
    cyclopentanone 628.35
    2-pentanone 383.27
    anisole 227.1
    cyclopentyl methyl ether 468.7
    gamma-butyrolactone 504.92
    1-methoxy-2-propanol 476.46
    pyridine 299.03
    3-pentanone 266.33
    furfural 348.88
    n-dodecane 40.6
    diethylene glycol 370.63
    diisopropyl ether 214.21
    tert-amyl alcohol 478.55
    acetylacetone 306.55
    n-hexadecane 44.72
    acetophenone 169.58
    methyl propionate 276.03
    isopentyl acetate 445.34
    trichloroethylene 475.87
    n-nonanol 242.35
    cyclohexanol 329.05
    benzyl alcohol 150.89
    2-ethylhexanol 383.96
    isooctanol 250.17
    dipropyl ether 434.93
    1,2-dichlorobenzene 191.02
    ethyl lactate 138.31
    propylene carbonate 295.84
    n-methylformamide 183.21
    2-pentanol 353.68
    n-pentane 113.63
    1-propoxy-2-propanol 613.93
    1-methoxy-2-propyl acetate 431.03
    2-(2-methoxypropoxy) propanol 283.54
    mesitylene 141.66
    ε-caprolactone 380.57
    p-cymene 147.22
    epichlorohydrin 494.3
    1,1,1-trichloroethane 432.1
    2-aminoethanol 200.34
    morpholine-4-carbaldehyde 357.71
    sulfolane 459.43
    2,2,4-trimethylpentane 65.35
    2-methyltetrahydrofuran 662.32
    n-hexyl acetate 350.91
    isooctane 74.99
    2-(2-butoxyethoxy)ethanol 406.35
    sec-butyl acetate 197.68
    tert-butyl acetate 360.5
    decalin 68.4
    glycerin 190.54
    diglyme 585.39
    acrylic acid 151.74
    isopropyl myristate 163.39
    n-butyric acid 364.34
    acetyl acetate 193.09
    di(2-ethylhexyl) phthalate 127.16
    ethyl propionate 209.63
    nitromethane 242.47
    1,2-diethoxyethane 326.55
    benzonitrile 210.42
    trioctyl phosphate 115.83
    1-bromopropane 310.71
    gamma-valerolactone 595.94
    n-decanol 190.77
    triethyl phosphate 128.29
    4-methyl-2-pentanol 283.38
    propionitrile 366.85
    vinylene carbonate 226.99
    1,1,2-trichlorotrifluoroethane 303.81
    DMS 199.68
    cumene 117.06
    2-octanol 204.24
    2-hexanone 253.43
    octyl acetate 195.63
    limonene 212.77
    1,2-dimethoxyethane 417.65
    ethyl orthosilicate 131.68
    tributyl phosphate 127.18
    diacetone alcohol 374.19
    N,N-dimethylaniline 159.8
    acrylonitrile 297.39
    aniline 210.79
    1,3-propanediol 260.25
    bromobenzene 232.65
    dibromomethane 338.03
    1,1,2,2-tetrachloroethane 474.23
    2-methyl-cyclohexyl acetate 244.08
    tetrabutyl urea 146.13
    diisobutyl methanol 242.47
    2-phenylethanol 287.31
    styrene 133.76
    dioctyl adipate 163.11
    dimethyl sulfate 141.54
    ethyl butyrate 286.75
    methyl lactate 171.22
    butyl lactate 204.45
    diethyl carbonate 171.9
    propanediol butyl ether 311.12
    triethyl orthoformate 216.41
    p-tert-butyltoluene 162.74
    methyl 4-tert-butylbenzoate 234.47
    morpholine 558.45
    tert-butylamine 540.27
    n-dodecanol 146.71
    dimethoxymethane 292.96
    ethylene carbonate 213.99
    cyrene 184.49
    2-ethoxyethyl acetate 239.89
    2-ethylhexyl acetate 330.02
    1,2,4-trichlorobenzene 222.58
    4-methylpyridine 303.53
    dibutyl ether 281.82
    2,6-dimethyl-4-heptanol 242.47
    DEF 253.97
    dimethyl isosorbide 424.04
    tetrachloroethylene 280.94
    eugenol 216.51
    triacetin 244.44
    span 80 286.62
    1,4-butanediol 105.2
    1,1-dichloroethane 423.94
    2-methyl-1-pentanol 220.4
    methyl formate 137.25
    2-methyl-1-butanol 326.73
    n-decane 68.43
    butyronitrile 400.07
    3,7-dimethyl-1-octanol 286.69
    1-chlorooctane 195.84
    1-chlorotetradecane 78.19
    n-nonane 72.03
    undecane 51.9
    tert-butylcyclohexane 86.85
    cyclooctane 62.81
    cyclopentanol 373.07
    tetrahydropyran 643.11
    tert-amyl methyl ether 375.41
    2,5,8-trioxanonane 374.77
    1-hexene 268.85
    2-isopropoxyethanol 250.36
    2,2,2-trifluoroethanol 69.16
    methyl butyrate 237.8

    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