(4-Tert-butylcyclohexyl) benzoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5452-03-9

    Molecular formula
    C17H24O2

    SMILES
    CC(C)(C)C1CCC(CC1)OC(=O)C2=CC=CC=C2

  • Odor profile

    Fragrance
    Balsamic 71.22%
    Woody 64.2%
    Herbal 56.47%
    Floral 52.18%
    Green 48.14%
    Fruity 39.88%
    Amber 37.89%
    Sweet 33.39%
    Dry 33.19%
    Spicy 32.69%

     

    Flavor
    Herbal 54.34%
    Balsam 47.33%
    Woody 43.74%
    Sweet 31.34%
    Floral 28.95%
    Green 28.71%
    Herb 26.13%
    Bitter 26.1%
    Balsamic 24.85%
    Amber 24.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.16 (neutral)

    Molecular weight
    260.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point

    • 146.72 ˚C est.

  • Synonyms

    • (4-tert-butylcyclohexyl) benzoate
    • 5452-03-9
    • DTXSID60281530
    • NSC21892
    • SCHEMBL14263504
    • SCHEMBL14591078
    • DTXCID20232684
    • NSC-21892

  • Applications

    (4-Tert-butylcyclohexyl) benzoate (CAS 5452-03-9) is used as a fragrance ingredient and odorant, functioning as a fixative in perfumery and in personal care formulations; it may also serve as a scent additive in household products such as laundry detergents and cleaners to impart a long-lasting fragrance. In the polymers and plastics sector, it can act as an additive or potential plasticizer in certain polymer formulations. It is also evaluated as an intermediate in the synthesis of specialty fragrance and cosmetic chemicals. In coatings and inks, it may be used as a fragrance component or odorant additive to impart scent characteristics. The use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1078.1
    methanol 697.15
    isopropanol 750.55
    water 0.19
    ethyl acetate 1886.13
    n-propanol 854.4
    acetone 1215.81
    n-butanol 729.96
    acetonitrile 872.98
    DMF 1207.6
    toluene 675.95
    isobutanol 532.44
    1,4-dioxane 1405.53
    methyl acetate 1233.51
    THF 2046.95
    2-butanone 1291.46
    n-pentanol 369.21
    sec-butanol 510.51
    n-hexane 73.1
    ethylene glycol 38.73
    NMP 640.75
    cyclohexane 122.48
    DMSO 533.23
    n-butyl acetate 1031.46
    n-octanol 185.31
    chloroform 2618.35
    n-propyl acetate 748.62
    acetic acid 364.05
    dichloromethane 2503.04
    cyclohexanone 1231.94
    propylene glycol 116.21
    isopropyl acetate 1099.5
    DMAc 1044.48
    2-ethoxyethanol 527.79
    isopentanol 563.62
    n-heptane 40.52
    ethyl formate 542.37
    1,2-dichloroethane 1829.48
    n-hexanol 545.08
    2-methoxyethanol 829.97
    isobutyl acetate 559.73
    tetrachloromethane 215.99
    n-pentyl acetate 418.16
    transcutol 2628.8
    n-heptanol 199.13
    ethylbenzene 301.74
    MIBK 676.73
    2-propoxyethanol 944.13
    tert-butanol 681.5
    MTBE 1238.17
    2-butoxyethanol 422.99
    propionic acid 410.77
    o-xylene 320.96
    formic acid 86.52
    diethyl ether 1549.51
    m-xylene 427.25
    p-xylene 379.59
    chlorobenzene 916.2
    dimethyl carbonate 371.88
    n-octane 23.15
    formamide 213.7
    cyclopentanone 1290.42
    2-pentanone 1116.61
    anisole 626.04
    cyclopentyl methyl ether 898.67
    gamma-butyrolactone 1238.7
    1-methoxy-2-propanol 813.7
    pyridine 1087.99
    3-pentanone 845.68
    furfural 860.34
    n-dodecane 18.73
    diethylene glycol 408.4
    diisopropyl ether 415.75
    tert-amyl alcohol 480.45
    acetylacetone 1103.19
    n-hexadecane 22.5
    acetophenone 490.05
    methyl propionate 1119.11
    isopentyl acetate 875.33
    trichloroethylene 2588.16
    n-nonanol 172.71
    cyclohexanol 436.19
    benzyl alcohol 357.26
    2-ethylhexanol 286.86
    isooctanol 179.51
    dipropyl ether 485.12
    1,2-dichlorobenzene 724.61
    ethyl lactate 241.66
    propylene carbonate 743.98
    n-methylformamide 525.77
    2-pentanol 473.62
    n-pentane 71.41
    1-propoxy-2-propanol 700.52
    1-methoxy-2-propyl acetate 974.41
    2-(2-methoxypropoxy) propanol 439.73
    mesitylene 253.14
    ε-caprolactone 1039.81
    p-cymene 158.17
    epichlorohydrin 1948.46
    1,1,1-trichloroethane 1362.38
    2-aminoethanol 197.45
    morpholine-4-carbaldehyde 928.22
    sulfolane 879.1
    2,2,4-trimethylpentane 43.58
    2-methyltetrahydrofuran 1383.43
    n-hexyl acetate 548.04
    isooctane 45.55
    2-(2-butoxyethoxy)ethanol 667.81
    sec-butyl acetate 622.8
    tert-butyl acetate 968.36
    decalin 69.87
    glycerin 132.17
    diglyme 1197.35
    acrylic acid 246.45
    isopropyl myristate 224.03
    n-butyric acid 773.03
    acetyl acetate 777.84
    di(2-ethylhexyl) phthalate 169.14
    ethyl propionate 672.25
    nitromethane 852.96
    1,2-diethoxyethane 1135.12
    benzonitrile 546.02
    trioctyl phosphate 121.08
    1-bromopropane 1090.66
    gamma-valerolactone 1467.58
    n-decanol 129.67
    triethyl phosphate 206.81
    4-methyl-2-pentanol 299.94
    propionitrile 817.6
    vinylene carbonate 638.28
    1,1,2-trichlorotrifluoroethane 633.08
    DMS 528.26
    cumene 195.06
    2-octanol 134.13
    2-hexanone 618.64
    octyl acetate 260.02
    limonene 220.96
    1,2-dimethoxyethane 964.69
    ethyl orthosilicate 210.08
    tributyl phosphate 178.52
    diacetone alcohol 705.84
    N,N-dimethylaniline 338.49
    acrylonitrile 736.56
    aniline 573.54
    1,3-propanediol 376.84
    bromobenzene 1019.29
    dibromomethane 1591.73
    1,1,2,2-tetrachloroethane 2119.85
    2-methyl-cyclohexyl acetate 385.93
    tetrabutyl urea 190.93
    diisobutyl methanol 179.37
    2-phenylethanol 433.33
    styrene 389.46
    dioctyl adipate 296.66
    dimethyl sulfate 388.26
    ethyl butyrate 616.36
    methyl lactate 304.09
    butyl lactate 302.48
    diethyl carbonate 369.04
    propanediol butyl ether 316.77
    triethyl orthoformate 354.11
    p-tert-butyltoluene 163.28
    methyl 4-tert-butylbenzoate 384.8
    morpholine 1644.38
    tert-butylamine 466.02
    n-dodecanol 98.75
    dimethoxymethane 1119.47
    ethylene carbonate 628.67
    cyrene 285.26
    2-ethoxyethyl acetate 665.82
    2-ethylhexyl acetate 663.1
    1,2,4-trichlorobenzene 742.68
    4-methylpyridine 1178.85
    dibutyl ether 371.67
    2,6-dimethyl-4-heptanol 179.37
    DEF 972.12
    dimethyl isosorbide 719.04
    tetrachloroethylene 1026.24
    eugenol 338.03
    triacetin 472.53
    span 80 335.46
    1,4-butanediol 126.82
    1,1-dichloroethane 1856.56
    2-methyl-1-pentanol 357.05
    methyl formate 346.4
    2-methyl-1-butanol 482.76
    n-decane 33.07
    butyronitrile 878.01
    3,7-dimethyl-1-octanol 236.0
    1-chlorooctane 183.5
    1-chlorotetradecane 72.09
    n-nonane 31.06
    undecane 24.14
    tert-butylcyclohexane 64.84
    cyclooctane 41.58
    cyclopentanol 414.08
    tetrahydropyran 1602.23
    tert-amyl methyl ether 652.61
    2,5,8-trioxanonane 730.97
    1-hexene 337.92
    2-isopropoxyethanol 454.24
    2,2,2-trifluoroethanol 130.04
    methyl butyrate 796.37

    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