2-tert-Butylcyclohexyl acetate, trans-

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  • Identifiers

    CAS number
    20298-70-8

    Molecular formula
    C12H22O2

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 82.71%
    Fruity 80.65%
    Herbal 73.14%
    Floral 65.88%
    Green 56.61%
    Fresh 51.04%
    Spicy 49.55%
    Pine 48.23%
    Camphoreous 46.49%
    Mint 46.09%

     

    Flavor
    Sweet 67.28%
    Herbal 63.82%
    Woody 45.63%
    Citrus 39.68%
    Fruity 39.0%
    Tropical 36.38%
    Lavender 35.04%
    Mint 34.46%
    Pine 33.48%
    Camphor 32.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.29 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    235°C

    Flash point

    • 99.13 ˚C est.

  • Synonyms

    • trans-2-tert-Butylcyclohexyl acetate
    • 20298-70-8
    • [(1R,2S)-2-tert-butylcyclohexyl] acetate
    • 2-tert-Butylcyclohexyl acetate, trans-
    • 0PJF54P94Y
    • Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate, trans-
    • EINECS 243-719-7
    • Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate, (1R,2S)-rel-
    • Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate, (1R,2S)-rel-
    • DTXSID001014824
    • (1R,2S)-2-tert-butylcyclohexyl acetate
    • 2-TERT-BUTYLCYCLOHEXANOL ACETATE, TRANS-
    • CYCLOHEXANOL, 2-TERT-BUTYL-, ACETATE, TRANS-
    • UNII-0PJF54P94Y
    • SCHEMBL1551168
    • FINOAUDUYKVGDS-GHMZBOCLSA-N
    • DTXCID601471670
    • (1R,2S)-2-(tert-butyl)cyclohexyl acetate
    • DB-257138
    • O-T-BUTYLCYCLOHEXYL ACETATE (TRANS)
    • Q27237067
    • 243-719-7

  • Applications

    2-tert-Butylcyclohexyl acetate, trans- (CAS 20298-70-8) is a fragrance-related ester used primarily in perfumery as an odorant and fixative, contributing fresh, green, and woody notes in formulations; it is also employed in cosmetics and personal care products as a fragrance ingredient; in household products such as air fresheners and cleaners as a scent additive; in industrial manufacturing as an intermediate or building block in aroma-chemical synthesis; and may be used in coatings or inks as a specialty fragrance additive, depending on formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 430.55
    methanol 529.55
    isopropanol 530.98
    water 1.18
    ethyl acetate 447.98
    n-propanol 450.32
    acetone 545.91
    n-butanol 410.03
    acetonitrile 496.9
    DMF 682.33
    toluene 482.22
    isobutanol 434.86
    1,4-dioxane 1002.5
    methyl acetate 447.15
    THF 1547.43
    2-butanone 493.86
    n-pentanol 253.52
    sec-butanol 458.01
    n-hexane 140.76
    ethylene glycol 86.86
    NMP 897.57
    cyclohexane 315.36
    DMSO 440.18
    n-butyl acetate 519.15
    n-octanol 306.35
    chloroform 2333.82
    n-propyl acetate 291.92
    acetic acid 413.6
    dichloromethane 1474.23
    cyclohexanone 1112.26
    propylene glycol 207.21
    isopropyl acetate 334.71
    DMAc 561.15
    2-ethoxyethanol 209.1
    isopentanol 387.88
    n-heptane 127.51
    ethyl formate 355.1
    1,2-dichloroethane 724.8
    n-hexanol 642.99
    2-methoxyethanol 430.84
    isobutyl acetate 261.25
    tetrachloromethane 349.88
    n-pentyl acetate 315.59
    transcutol 814.39
    n-heptanol 273.69
    ethylbenzene 285.78
    MIBK 321.17
    2-propoxyethanol 556.92
    tert-butanol 699.0
    MTBE 528.07
    2-butoxyethanol 299.23
    propionic acid 417.71
    o-xylene 354.91
    formic acid 106.64
    diethyl ether 378.51
    m-xylene 369.95
    p-xylene 410.97
    chlorobenzene 647.15
    dimethyl carbonate 165.65
    n-octane 49.62
    formamide 117.83
    cyclopentanone 1056.21
    2-pentanone 414.79
    anisole 382.42
    cyclopentyl methyl ether 649.23
    gamma-butyrolactone 1088.65
    1-methoxy-2-propanol 432.02
    pyridine 756.83
    3-pentanone 335.65
    furfural 828.63
    n-dodecane 43.35
    diethylene glycol 317.0
    diisopropyl ether 173.62
    tert-amyl alcohol 526.72
    acetylacetone 477.62
    n-hexadecane 49.94
    acetophenone 367.98
    methyl propionate 348.0
    isopentyl acetate 480.78
    trichloroethylene 1454.6
    n-nonanol 253.21
    cyclohexanol 689.25
    benzyl alcohol 308.38
    2-ethylhexanol 373.54
    isooctanol 221.84
    dipropyl ether 324.64
    1,2-dichlorobenzene 576.47
    ethyl lactate 171.44
    propylene carbonate 761.41
    n-methylformamide 290.98
    2-pentanol 319.93
    n-pentane 122.59
    1-propoxy-2-propanol 454.83
    1-methoxy-2-propyl acetate 452.35
    2-(2-methoxypropoxy) propanol 362.6
    mesitylene 266.72
    ε-caprolactone 902.91
    p-cymene 234.73
    epichlorohydrin 989.38
    1,1,1-trichloroethane 974.18
    2-aminoethanol 203.29
    morpholine-4-carbaldehyde 732.18
    sulfolane 1150.77
    2,2,4-trimethylpentane 74.96
    2-methyltetrahydrofuran 1016.0
    n-hexyl acetate 547.1
    isooctane 60.58
    2-(2-butoxyethoxy)ethanol 406.28
    sec-butyl acetate 235.45
    tert-butyl acetate 392.49
    decalin 122.57
    glycerin 213.87
    diglyme 615.78
    acrylic acid 326.32
    isopropyl myristate 232.66
    n-butyric acid 601.11
    acetyl acetate 364.38
    di(2-ethylhexyl) phthalate 237.25
    ethyl propionate 275.86
    nitromethane 547.83
    1,2-diethoxyethane 345.82
    benzonitrile 540.09
    trioctyl phosphate 188.04
    1-bromopropane 575.65
    gamma-valerolactone 1141.64
    n-decanol 190.12
    triethyl phosphate 186.9
    4-methyl-2-pentanol 225.55
    propionitrile 486.43
    vinylene carbonate 662.72
    1,1,2-trichlorotrifluoroethane 610.75
    DMS 362.04
    cumene 212.73
    2-octanol 218.55
    2-hexanone 324.33
    octyl acetate 290.02
    limonene 350.2
    1,2-dimethoxyethane 463.91
    ethyl orthosilicate 178.64
    tributyl phosphate 213.06
    diacetone alcohol 407.66
    N,N-dimethylaniline 278.54
    acrylonitrile 498.55
    aniline 456.2
    1,3-propanediol 287.87
    bromobenzene 758.09
    dibromomethane 1112.73
    1,1,2,2-tetrachloroethane 1340.56
    2-methyl-cyclohexyl acetate 370.63
    tetrabutyl urea 255.35
    diisobutyl methanol 204.13
    2-phenylethanol 415.24
    styrene 318.53
    dioctyl adipate 320.33
    dimethyl sulfate 275.97
    ethyl butyrate 344.81
    methyl lactate 211.09
    butyl lactate 285.22
    diethyl carbonate 241.36
    propanediol butyl ether 347.93
    triethyl orthoformate 247.87
    p-tert-butyltoluene 240.69
    methyl 4-tert-butylbenzoate 411.36
    morpholine 965.13
    tert-butylamine 515.1
    n-dodecanol 149.31
    dimethoxymethane 381.24
    ethylene carbonate 567.4
    cyrene 352.36
    2-ethoxyethyl acetate 350.86
    2-ethylhexyl acetate 403.83
    1,2,4-trichlorobenzene 670.84
    4-methylpyridine 839.17
    dibutyl ether 293.87
    2,6-dimethyl-4-heptanol 204.13
    DEF 407.11
    dimethyl isosorbide 675.36
    tetrachloroethylene 774.97
    eugenol 327.52
    triacetin 416.29
    span 80 417.09
    1,4-butanediol 115.93
    1,1-dichloroethane 927.43
    2-methyl-1-pentanol 259.43
    methyl formate 271.81
    2-methyl-1-butanol 364.19
    n-decane 69.13
    butyronitrile 552.12
    3,7-dimethyl-1-octanol 292.52
    1-chlorooctane 238.4
    1-chlorotetradecane 106.96
    n-nonane 70.42
    undecane 52.39
    tert-butylcyclohexane 108.78
    cyclooctane 101.98
    cyclopentanol 692.75
    tetrahydropyran 1058.31
    tert-amyl methyl ether 362.27
    2,5,8-trioxanonane 468.39
    1-hexene 322.5
    2-isopropoxyethanol 196.43
    2,2,2-trifluoroethanol 161.27
    methyl butyrate 360.74

    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