2-tert-Butylcyclohexyloxybutanol

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  • Identifiers

    CAS number
    139504-68-0

    Molecular formula
    C14H28O2

    SMILES
    CCC(COC1CCCCC1C(C)(C)C)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 69.5%
    Mint 50.11%
    Amber 45.88%
    Camphoreous 37.73%
    Dry 37.54%
    Musk 35.52%
    Cooling 31.96%
    Cedar 31.35%
    Sandalwood 29.47%
    Vetiver 28.89%

     

    Flavor
    Herbal 47.48%
    Green 43.52%
    Floral 40.07%
    Sweet 38.14%
    Minty 34.19%
    Earthy 32.66%
    Mild 32.42%
    Herb 28.59%
    Woody 27.03%
    Tropical 26.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.93 (neutral)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    287°C

    Flash point

    • 120.29 ˚C est.

  • Synonyms

    • 2-Butanol, 1-[[2-(1,1-dimethylethyl)cyclohexyl]oxy]-
    • 139504-68-0
    • 2-t-Butylcyclohexyloxy-2-butanol
    • 1-(2-tert-butylcyclohexyl)oxybutan-2-ol
    • 2-tert-butylcyclohexyloxybutanol
    • 1-(2-tert-butylcyclohexyloxy)-2-butanol
    • 1DR20642YH
    • 2-t-butylcyclohexyloxybutanol
    • DTXSID00869896
    • 2-Butanol, 1-((2-(1,1-dimethylethyl)cyclohexyl)oxy)-
    • 1-((2-tert-Butylcyclohexyl)oxy)butan-2-ol
    • EC 412-300-2
    • 1-[(2-tert-butylcyclohexyl)oxy]butan-2-ol
    • SCHEMBL118256
    • UNII-1DR20642YH
    • CHEMBL3733013
    • DTXCID00817791
    • 1-(2-t-butylcyclohexyloxy)-2-butanol
    • 1-(2-tert-butylcyclohexyl)oxy-2-butanol
    • 2-T-BUTYLCYCLOHEXYLOXYBUTANOL [INCI]
    • NS00007005
    • A810537
    • 2-Butanol, 1-2-(1,1-dimethylethyl)cyclohexyloxy-
    • Q27252293
    • 412-300-2
    • Ambercore

  • Applications

    2-tert-Butylcyclohexyloxybutanol (CAS 139504-68-0) is primarily used as a fragrance ingredient and odorant in perfumery, where it can contribute specific notes and may function as a fixative to extend scent duration. In cosmetics and personal care, it is employed as a fragrance component in products such as creams, lotions, and shampoos. It is also used in household products and cleaning formulations as a fragrance additive to provide fresh odor profiles. In industrial manufacturing, it may be used as an intermediate in the synthesis of fragrance compounds or as a co-solvent/processing aid in formulation development. In polymers, coatings, and related materials, it can serve as a fragrance-related additive or processing aid to improve scent retention and compatibility, depending on the formulation. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2935.13
    methanol 2281.78
    isopropanol 3145.16
    water 1.28
    ethyl acetate 2994.89
    n-propanol 2928.35
    acetone 3010.93
    n-butanol 2940.25
    acetonitrile 1949.52
    DMF 1919.19
    toluene 1309.75
    isobutanol 2722.54
    1,4-dioxane 3407.11
    methyl acetate 1922.47
    THF 4842.62
    2-butanone 2409.93
    n-pentanol 1625.89
    sec-butanol 2661.78
    n-hexane 959.5
    ethylene glycol 276.96
    NMP 1429.1
    cyclohexane 1864.77
    DMSO 1824.06
    n-butyl acetate 3113.57
    n-octanol 1245.84
    chloroform 5003.17
    n-propyl acetate 1876.42
    acetic acid 2055.0
    dichloromethane 3377.73
    cyclohexanone 3801.58
    propylene glycol 604.2
    isopropyl acetate 2455.88
    DMAc 1362.82
    2-ethoxyethanol 1448.57
    isopentanol 2931.46
    n-heptane 687.47
    ethyl formate 1480.35
    1,2-dichloroethane 2686.31
    n-hexanol 2885.47
    2-methoxyethanol 2259.97
    isobutyl acetate 1510.29
    tetrachloromethane 1445.73
    n-pentyl acetate 1678.79
    transcutol 5311.63
    n-heptanol 1278.91
    ethylbenzene 787.17
    MIBK 1805.58
    2-propoxyethanol 2547.8
    tert-butanol 4043.52
    MTBE 4370.21
    2-butoxyethanol 1608.81
    propionic acid 1779.81
    o-xylene 927.18
    formic acid 448.63
    diethyl ether 3381.83
    m-xylene 1069.2
    p-xylene 1072.68
    chlorobenzene 1821.9
    dimethyl carbonate 625.77
    n-octane 265.12
    formamide 516.53
    cyclopentanone 3038.73
    2-pentanone 2595.99
    anisole 1109.46
    cyclopentyl methyl ether 2897.63
    gamma-butyrolactone 2844.66
    1-methoxy-2-propanol 2060.54
    pyridine 2137.27
    3-pentanone 1784.85
    furfural 2154.03
    n-dodecane 138.03
    diethylene glycol 1180.45
    diisopropyl ether 1538.47
    tert-amyl alcohol 3069.05
    acetylacetone 2058.69
    n-hexadecane 162.07
    acetophenone 949.13
    methyl propionate 1668.9
    isopentyl acetate 2908.93
    trichloroethylene 4236.44
    n-nonanol 1004.71
    cyclohexanol 3020.77
    benzyl alcohol 849.64
    2-ethylhexanol 1754.57
    isooctanol 1110.58
    dipropyl ether 2058.86
    1,2-dichlorobenzene 1516.13
    ethyl lactate 641.82
    propylene carbonate 1985.53
    n-methylformamide 1096.28
    2-pentanol 2482.44
    n-pentane 925.47
    1-propoxy-2-propanol 2270.67
    1-methoxy-2-propyl acetate 2031.56
    2-(2-methoxypropoxy) propanol 1087.36
    mesitylene 820.39
    ε-caprolactone 3118.32
    p-cymene 678.24
    epichlorohydrin 3182.81
    1,1,1-trichloroethane 3634.93
    2-aminoethanol 799.03
    morpholine-4-carbaldehyde 1888.41
    sulfolane 2669.03
    2,2,4-trimethylpentane 506.21
    2-methyltetrahydrofuran 3802.18
    n-hexyl acetate 2193.29
    isooctane 442.06
    2-(2-butoxyethoxy)ethanol 1749.51
    sec-butyl acetate 1507.0
    tert-butyl acetate 2464.98
    decalin 529.84
    glycerin 670.22
    diglyme 2886.35
    acrylic acid 1129.64
    isopropyl myristate 769.32
    n-butyric acid 3552.12
    acetyl acetate 1766.13
    di(2-ethylhexyl) phthalate 535.49
    ethyl propionate 1366.04
    nitromethane 2257.35
    1,2-diethoxyethane 2328.92
    benzonitrile 1291.54
    trioctyl phosphate 524.2
    1-bromopropane 2477.17
    gamma-valerolactone 3395.68
    n-decanol 694.77
    triethyl phosphate 610.46
    4-methyl-2-pentanol 1583.09
    propionitrile 2018.2
    vinylene carbonate 1575.41
    1,1,2-trichlorotrifluoroethane 2136.99
    DMS 1118.66
    cumene 608.53
    2-octanol 944.86
    2-hexanone 1721.79
    octyl acetate 924.57
    limonene 1221.87
    1,2-dimethoxyethane 2472.93
    ethyl orthosilicate 673.52
    tributyl phosphate 665.43
    diacetone alcohol 1853.95
    N,N-dimethylaniline 737.64
    acrylonitrile 1572.65
    aniline 1391.55
    1,3-propanediol 1480.04
    bromobenzene 1990.26
    dibromomethane 2918.41
    1,1,2,2-tetrachloroethane 3885.59
    2-methyl-cyclohexyl acetate 1241.99
    tetrabutyl urea 665.45
    diisobutyl methanol 1070.51
    2-phenylethanol 1131.83
    styrene 866.74
    dioctyl adipate 895.54
    dimethyl sulfate 808.42
    ethyl butyrate 1748.92
    methyl lactate 750.02
    butyl lactate 1141.2
    diethyl carbonate 1008.58
    propanediol butyl ether 1389.87
    triethyl orthoformate 1257.96
    p-tert-butyltoluene 669.39
    methyl 4-tert-butylbenzoate 1061.62
    morpholine 3561.63
    tert-butylamine 3292.53
    n-dodecanol 514.92
    dimethoxymethane 1578.92
    ethylene carbonate 1674.55
    cyrene 696.41
    2-ethoxyethyl acetate 1613.13
    2-ethylhexyl acetate 2148.51
    1,2,4-trichlorobenzene 1628.9
    4-methylpyridine 2373.04
    dibutyl ether 1808.13
    2,6-dimethyl-4-heptanol 1070.51
    DEF 2061.91
    dimethyl isosorbide 1528.06
    tetrachloroethylene 2781.68
    eugenol 830.04
    triacetin 1356.43
    span 80 1111.96
    1,4-butanediol 564.93
    1,1-dichloroethane 3508.88
    2-methyl-1-pentanol 1484.29
    methyl formate 889.44
    2-methyl-1-butanol 2530.21
    n-decane 302.37
    butyronitrile 2623.88
    3,7-dimethyl-1-octanol 1275.61
    1-chlorooctane 1004.51
    1-chlorotetradecane 349.36
    n-nonane 346.74
    undecane 191.1
    tert-butylcyclohexane 521.81
    cyclooctane 600.38
    cyclopentanol 2320.9
    tetrahydropyran 4875.45
    tert-amyl methyl ether 2539.6
    2,5,8-trioxanonane 1493.5
    1-hexene 1891.4
    2-isopropoxyethanol 1252.1
    2,2,2-trifluoroethanol 682.38
    methyl butyrate 1941.57

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.24 % Category 7A
Rinse-off products applied to the hair with some hand contact
 2.7 %
Category 2
Products applied to the axillae
 0.071 % Category 7B
Leave-on products applied to the hair with some hand contact
 2.7 %
Category 3
Products applied to the face/body using fingertips
 1.4 % Category 8
Products with significant anogenital exposure
 0.11 %
Category 4
Products related to fine fragrance
 1.3 % Category 9
Products with body and hand exposure, primarily rinse off
 2.6 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.34 % Category 10A
Household care products with mostly hand contact
 4.5 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.34 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 9.3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.34 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.11 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.11 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.11 %
Category 6
Products with oral and lip exposure
 0.75 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction