Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl-, 1-acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    115724-27-1

    Molecular formula
    C13H24O2

    SMILES
    CC1CCC(C(C1)C(C)(C)C)OC(=O)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 77.8%
    Woody 73.63%
    Herbal 70.99%
    Floral 70.54%
    Fresh 51.75%
    Mint 49.08%
    Sweet 48.4%
    Spicy 47.91%
    Green 45.3%
    Pine 43.83%

     

    Flavor
    Sweet 66.59%
    Herbal 64.44%
    Woody 51.44%
    Citrus 39.26%
    Tropical 37.75%
    Mint 36.08%
    Minty 35.96%
    Pine 35.62%
    Fruity 35.33%
    Camphor 34.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.31 (weak base)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    245°C

    Flash point

    • 100.05 ˚C est.

  • Synonyms

    • 2-tert-butyl-4-methylcyclohexyl acetate
    • 115724-27-1
    • Damascate
    • UNII-JAZ26EQ8IU
    • JAZ26EQ8IU
    • 2-tert-Butyl-4-methyl-cyclohexyl acetate
    • (2-tert-butyl-4-methylcyclohexyl) acetate
    • Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl-, 1-acetate
    • Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl-, acetate
    • DTXSID60888881
    • SCHEMBL2419179
    • DTXCID801028152
    • 2-(tert-Butyl)-4-methylcyclohexyl acetate
    • NS00012053
    • Q27281409
    • 601-383-2

  • Applications

    Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl-, 1-acetate (CAS 115724-27-1) is used primarily as a fragrance ingredient and fragrance fixative in perfumery and cosmetics, contributing to the scent profile as an ester. It is also used as a solvent or processing aid in coatings, varnishes, and inks, and can function as a processing medium or additive in plastic and polymer formulations. It is employed as an intermediate in the synthesis of other specialty fragrance compounds. In household products, it may appear as a fragrance component and solvent in cleaners and air fresheners. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 517.77
    methanol 551.93
    isopropanol 772.86
    water 1.3
    ethyl acetate 675.68
    n-propanol 621.55
    acetone 747.28
    n-butanol 615.09
    acetonitrile 542.39
    DMF 884.8
    toluene 717.42
    isobutanol 699.21
    1,4-dioxane 1137.46
    methyl acetate 671.19
    THF 1881.18
    2-butanone 824.14
    n-pentanol 387.75
    sec-butanol 737.77
    n-hexane 225.68
    ethylene glycol 118.25
    NMP 1053.94
    cyclohexane 396.82
    DMSO 549.46
    n-butyl acetate 712.29
    n-octanol 439.91
    chloroform 2665.16
    n-propyl acetate 412.09
    acetic acid 462.7
    dichloromethane 1621.13
    cyclohexanone 1486.61
    propylene glycol 313.22
    isopropyl acetate 540.93
    DMAc 868.55
    2-ethoxyethanol 308.88
    isopentanol 633.89
    n-heptane 133.19
    ethyl formate 421.05
    1,2-dichloroethane 979.78
    n-hexanol 901.06
    2-methoxyethanol 569.1
    isobutyl acetate 386.85
    tetrachloromethane 468.44
    n-pentyl acetate 450.61
    transcutol 1079.26
    n-heptanol 400.14
    ethylbenzene 431.94
    MIBK 515.37
    2-propoxyethanol 759.59
    tert-butanol 1034.04
    MTBE 970.68
    2-butoxyethanol 441.31
    propionic acid 559.05
    o-xylene 544.27
    formic acid 113.88
    diethyl ether 575.41
    m-xylene 575.59
    p-xylene 619.93
    chlorobenzene 860.74
    dimethyl carbonate 242.55
    n-octane 63.9
    formamide 127.99
    cyclopentanone 1428.21
    2-pentanone 641.77
    anisole 540.44
    cyclopentyl methyl ether 904.65
    gamma-butyrolactone 1323.51
    1-methoxy-2-propanol 634.89
    pyridine 924.65
    3-pentanone 550.13
    furfural 1006.13
    n-dodecane 53.01
    diethylene glycol 415.48
    diisopropyl ether 300.16
    tert-amyl alcohol 866.06
    acetylacetone 693.95
    n-hexadecane 62.25
    acetophenone 517.25
    methyl propionate 520.84
    isopentyl acetate 714.38
    trichloroethylene 1839.51
    n-nonanol 366.89
    cyclohexanol 929.84
    benzyl alcohol 441.07
    2-ethylhexanol 517.95
    isooctanol 335.09
    dipropyl ether 422.2
    1,2-dichlorobenzene 751.21
    ethyl lactate 253.24
    propylene carbonate 941.76
    n-methylformamide 351.37
    2-pentanol 532.52
    n-pentane 187.55
    1-propoxy-2-propanol 638.93
    1-methoxy-2-propyl acetate 658.44
    2-(2-methoxypropoxy) propanol 482.36
    mesitylene 391.98
    ε-caprolactone 1184.42
    p-cymene 312.81
    epichlorohydrin 1293.81
    1,1,1-trichloroethane 1429.2
    2-aminoethanol 266.42
    morpholine-4-carbaldehyde 894.88
    sulfolane 1374.26
    2,2,4-trimethylpentane 121.48
    2-methyltetrahydrofuran 1409.3
    n-hexyl acetate 773.48
    isooctane 96.33
    2-(2-butoxyethoxy)ethanol 554.01
    sec-butyl acetate 368.19
    tert-butyl acetate 627.59
    decalin 169.94
    glycerin 300.54
    diglyme 845.24
    acrylic acid 413.81
    isopropyl myristate 319.4
    n-butyric acid 792.8
    acetyl acetate 499.05
    di(2-ethylhexyl) phthalate 304.51
    ethyl propionate 404.0
    nitromethane 640.44
    1,2-diethoxyethane 466.15
    benzonitrile 674.91
    trioctyl phosphate 243.54
    1-bromopropane 836.91
    gamma-valerolactone 1427.51
    n-decanol 273.12
    triethyl phosphate 232.67
    4-methyl-2-pentanol 391.31
    propionitrile 624.39
    vinylene carbonate 758.46
    1,1,2-trichlorotrifluoroethane 827.37
    DMS 525.58
    cumene 316.86
    2-octanol 328.58
    2-hexanone 482.46
    octyl acetate 401.86
    limonene 461.07
    1,2-dimethoxyethane 663.27
    ethyl orthosilicate 227.12
    tributyl phosphate 275.99
    diacetone alcohol 620.37
    N,N-dimethylaniline 392.87
    acrylonitrile 605.56
    aniline 661.07
    1,3-propanediol 360.72
    bromobenzene 998.2
    dibromomethane 1264.17
    1,1,2,2-tetrachloroethane 1855.46
    2-methyl-cyclohexyl acetate 477.94
    tetrabutyl urea 324.53
    diisobutyl methanol 288.62
    2-phenylethanol 583.53
    styrene 459.05
    dioctyl adipate 407.25
    dimethyl sulfate 404.29
    ethyl butyrate 448.95
    methyl lactate 321.47
    butyl lactate 407.73
    diethyl carbonate 310.0
    propanediol butyl ether 534.3
    triethyl orthoformate 317.11
    p-tert-butyltoluene 320.22
    methyl 4-tert-butylbenzoate 547.7
    morpholine 1182.81
    tert-butylamine 774.75
    n-dodecanol 212.94
    dimethoxymethane 503.99
    ethylene carbonate 678.9
    cyrene 451.69
    2-ethoxyethyl acetate 484.2
    2-ethylhexyl acetate 586.26
    1,2,4-trichlorobenzene 893.31
    4-methylpyridine 1108.33
    dibutyl ether 411.9
    2,6-dimethyl-4-heptanol 288.62
    DEF 571.47
    dimethyl isosorbide 823.31
    tetrachloroethylene 1049.29
    eugenol 452.59
    triacetin 588.21
    span 80 533.84
    1,4-butanediol 169.59
    1,1-dichloroethane 1367.65
    2-methyl-1-pentanol 421.54
    methyl formate 318.15
    2-methyl-1-butanol 617.89
    n-decane 93.78
    butyronitrile 725.93
    3,7-dimethyl-1-octanol 427.4
    1-chlorooctane 340.14
    1-chlorotetradecane 141.22
    n-nonane 95.69
    undecane 67.17
    tert-butylcyclohexane 160.86
    cyclooctane 145.29
    cyclopentanol 933.93
    tetrahydropyran 1399.23
    tert-amyl methyl ether 648.21
    2,5,8-trioxanonane 587.64
    1-hexene 510.73
    2-isopropoxyethanol 307.84
    2,2,2-trifluoroethanol 200.87
    methyl butyrate 515.66

    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