Cyclohexanemethanol, 4-(acetyloxy)-alpha,alpha,4-trimethyl-, 1-acetate

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  • Identifiers

    CAS number
    20009-20-5

    Molecular formula
    C14H24O4

    SMILES
    CC(=O)OC1(CCC(CC1)C(C)(C)OC(=O)C)C

  • Odor profile

    Fragrance
    Fruity 87.89%
    Floral 58.3%
    Herbal 54.84%
    Fresh 52.43%
    Woody 49.12%
    Sweet 44.0%
    Mint 38.77%
    Citrus 34.67%
    Bergamot 33.68%
    Berry 32.0%

     

    Flavor
    Sweet 78.94%
    Herbal 61.41%
    Citrus 53.28%
    Fruity 46.19%
    Lavender 44.07%
    Woody 39.33%
    Pine 37.13%
    Tropical 37.01%
    Camphor 35.77%
    Balsam 34.88%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.46 (neutral)

    Molecular weight
    256.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    284°C

    Flash point

    • 135.93 ˚C est.

  • Synonyms

    • 20009-20-5
    • p-Menthane-1,8-diol, diacetate
    • [4-(2-acetyloxypropan-2-yl)-1-methylcyclohexyl] acetate
    • 4-(Acetoxy)-alpha,alpha,4-trimethylcyclohexylmethyl acetate
    • AI3-01769
    • DTXSID70864914
    • Cyclohexanemethanol, 4-(acetyloxy)-alpha,alpha,4-trimethyl-, 1-acetate
    • Cyclohexanemethanol, 4-(acetyloxy)-alpha,alpha,4-trimethyl-, acetate
    • Cyclohexanemethanol, 4-(acetyloxy)-.alpha.,.alpha.,4-trimethyl-, acetate
    • Cyclohexanemethanol, 4-(acetyloxy)-.alpha.,.alpha.,4-trimethyl-, 1-acetate
    • EINECS 243-464-1
    • Terpin diacetate, trans-
    • AI 3-01769
    • SCHEMBL20296824
    • DTXCID00813379
    • para-menthane-1,8-diol diacetate
    • AKOS040750246
    • NS00048043
    • 1-[4-(Acetyloxy)-4-methylcyclohexyl]-1-methylethyl acetate #

  • Applications

    Cyclohexanemethanol, 4-(acetyloxy)-alpha,alpha,4-trimethyl-, 1-acetate (CAS 20009-20-5) is primarily used as an aroma chemical and fragrance intermediate in perfumery; it may be employed in flavor formulations as an aroma ingredient; in cosmetics and personal care it can serve as a fragrance component; it is also an industrial synthesis intermediate for preparing other cyclohexyl ester-based fragrance or specialty materials; and it can act as a building block in polymer or coatings formulations where its ester functionality is leveraged, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 311.75
    methanol 556.08
    isopropanol 268.81
    water 13.02
    ethyl acetate 592.91
    n-propanol 236.48
    acetone 720.76
    n-butanol 183.42
    acetonitrile 568.58
    DMF 1307.88
    toluene 354.97
    isobutanol 195.55
    1,4-dioxane 762.28
    methyl acetate 600.04
    THF 1420.22
    2-butanone 442.42
    n-pentanol 133.98
    sec-butanol 208.23
    n-hexane 31.69
    ethylene glycol 89.75
    NMP 1617.99
    cyclohexane 51.3
    DMSO 736.08
    n-butyl acetate 237.31
    n-octanol 124.8
    chloroform 1513.5
    n-propyl acetate 275.36
    acetic acid 726.35
    dichloromethane 1295.16
    cyclohexanone 833.77
    propylene glycol 161.0
    isopropyl acetate 358.17
    DMAc 1206.44
    2-ethoxyethanol 236.4
    isopentanol 154.66
    n-heptane 14.99
    ethyl formate 417.92
    1,2-dichloroethane 621.61
    n-hexanol 161.71
    2-methoxyethanol 494.81
    isobutyl acetate 200.14
    tetrachloromethane 151.92
    n-pentyl acetate 195.2
    transcutol 732.53
    n-heptanol 82.14
    ethylbenzene 172.68
    MIBK 227.35
    2-propoxyethanol 400.31
    tert-butanol 363.06
    MTBE 267.05
    2-butoxyethanol 178.76
    propionic acid 434.85
    o-xylene 227.52
    formic acid 350.54
    diethyl ether 250.86
    m-xylene 251.82
    p-xylene 266.37
    chlorobenzene 442.07
    dimethyl carbonate 330.99
    n-octane 11.63
    formamide 449.95
    cyclopentanone 1043.67
    2-pentanone 331.94
    anisole 355.8
    cyclopentyl methyl ether 534.41
    gamma-butyrolactone 1648.85
    1-methoxy-2-propanol 447.12
    pyridine 638.92
    3-pentanone 334.71
    furfural 1140.37
    n-dodecane 12.6
    diethylene glycol 311.31
    diisopropyl ether 93.16
    tert-amyl alcohol 247.19
    acetylacetone 659.82
    n-hexadecane 14.62
    acetophenone 380.29
    methyl propionate 561.11
    isopentyl acetate 218.21
    trichloroethylene 1300.09
    n-nonanol 115.4
    cyclohexanol 309.05
    benzyl alcohol 272.37
    2-ethylhexanol 94.84
    isooctanol 72.55
    dipropyl ether 128.48
    1,2-dichlorobenzene 405.89
    ethyl lactate 173.16
    propylene carbonate 822.23
    n-methylformamide 641.29
    2-pentanol 125.89
    n-pentane 24.96
    1-propoxy-2-propanol 246.82
    1-methoxy-2-propyl acetate 374.26
    2-(2-methoxypropoxy) propanol 247.21
    mesitylene 139.56
    ε-caprolactone 850.13
    p-cymene 75.67
    epichlorohydrin 1179.64
    1,1,1-trichloroethane 681.8
    2-aminoethanol 184.7
    morpholine-4-carbaldehyde 1250.76
    sulfolane 1375.55
    2,2,4-trimethylpentane 18.49
    2-methyltetrahydrofuran 759.88
    n-hexyl acetate 320.05
    isooctane 12.79
    2-(2-butoxyethoxy)ethanol 291.67
    sec-butyl acetate 206.84
    tert-butyl acetate 345.21
    decalin 37.89
    glycerin 231.38
    diglyme 525.24
    acrylic acid 406.63
    isopropyl myristate 114.97
    n-butyric acid 472.1
    acetyl acetate 520.01
    di(2-ethylhexyl) phthalate 124.99
    ethyl propionate 334.24
    nitromethane 1438.5
    1,2-diethoxyethane 250.42
    benzonitrile 392.66
    trioctyl phosphate 83.62
    1-bromopropane 316.24
    gamma-valerolactone 1526.78
    n-decanol 81.96
    triethyl phosphate 132.44
    4-methyl-2-pentanol 91.22
    propionitrile 348.56
    vinylene carbonate 786.71
    1,1,2-trichlorotrifluoroethane 701.41
    DMS 394.63
    cumene 115.75
    2-octanol 78.06
    2-hexanone 223.53
    octyl acetate 149.06
    limonene 107.34
    1,2-dimethoxyethane 504.55
    ethyl orthosilicate 119.92
    tributyl phosphate 115.22
    diacetone alcohol 355.48
    N,N-dimethylaniline 239.22
    acrylonitrile 466.65
    aniline 377.2
    1,3-propanediol 228.8
    bromobenzene 447.47
    dibromomethane 759.45
    1,1,2,2-tetrachloroethane 1013.96
    2-methyl-cyclohexyl acetate 191.05
    tetrabutyl urea 154.92
    diisobutyl methanol 61.19
    2-phenylethanol 231.87
    styrene 196.12
    dioctyl adipate 177.07
    dimethyl sulfate 565.85
    ethyl butyrate 204.31
    methyl lactate 286.4
    butyl lactate 172.51
    diethyl carbonate 164.54
    propanediol butyl ether 209.02
    triethyl orthoformate 154.89
    p-tert-butyltoluene 77.97
    methyl 4-tert-butylbenzoate 276.74
    morpholine 813.11
    tert-butylamine 217.69
    n-dodecanol 61.21
    dimethoxymethane 676.68
    ethylene carbonate 645.58
    cyrene 303.63
    2-ethoxyethyl acetate 292.3
    2-ethylhexyl acetate 179.76
    1,2,4-trichlorobenzene 486.04
    4-methylpyridine 830.72
    dibutyl ether 144.79
    2,6-dimethyl-4-heptanol 61.19
    DEF 527.59
    dimethyl isosorbide 517.66
    tetrachloroethylene 552.23
    eugenol 226.05
    triacetin 378.33
    span 80 217.74
    1,4-butanediol 93.44
    1,1-dichloroethane 718.38
    2-methyl-1-pentanol 122.01
    methyl formate 624.33
    2-methyl-1-butanol 165.37
    n-decane 21.99
    butyronitrile 295.57
    3,7-dimethyl-1-octanol 115.84
    1-chlorooctane 89.48
    1-chlorotetradecane 37.58
    n-nonane 20.43
    undecane 16.3
    tert-butylcyclohexane 35.3
    cyclooctane 18.47
    cyclopentanol 388.97
    tetrahydropyran 585.45
    tert-amyl methyl ether 219.44
    2,5,8-trioxanonane 397.61
    1-hexene 107.15
    2-isopropoxyethanol 179.39
    2,2,2-trifluoroethanol 352.1
    methyl butyrate 370.8

    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