Cyclohexanol, 3,3,5-trimethyl-, 1-acetate, (1R,5S)-rel-

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  • Identifiers

    CAS number
    24691-18-7

    Molecular formula
    C11H20O2

    SMILES
    C[C@@H]1C[C@H](CC(C1)(C)C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 90.94%
    Floral 77.21%
    Sweet 77.21%
    Herbal 75.19%
    Mint 61.92%
    Green 58.98%
    Fresh 56.65%
    Woody 52.63%
    Rose 50.74%
    Spicy 46.03%

     

    Flavor
    Sweet 78.6%
    Herbal 65.65%
    Woody 58.32%
    Fruity 51.36%
    Camphor 41.15%
    Tobacco 35.37%
    Raspberry 34.33%
    Mint 34.13%
    Tropical 33.52%
    Minty 32.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.19 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    215°C

    Flash point

    • 90.31 ˚C est.

  • Synonyms

    • 24691-18-7
    • EINECS 246-418-9
    • NSC 23487
    • Cyclohexanol, 3,3,5-trimethyl-, 1-acetate, (1R,5S)-rel-
    • Cyclohexanol, 3,3,5-trimethyl-, acetate, trans-
    • Cyclohexanol, 3,3,5-trimethyl-, acetate, (1R,5S)-rel-
    • RefChem:129626
    • Cyclohexanol, 3,3,5-trimethyl-, acetate, trans-(8CI)
    • Cyclohexanol, 3,3,5-trimethyl-, acetate, trans-(8CI)(9CI)
    • trans-3,3,5-Trimethylcyclohexyl acetate
    • SCHEMBL273014
    • (1R,5S)-3,3,5-TRIMETHYLCYCLOHEXYL ACETATE
    • OIVWFAFCHQDCCG-PSASIEDQSA-N
    • DTXSID401207108
    • NSC23487
    • NSC-23487
    • Cyclohexanol,3,5-trimethyl-, acetate, trans-
    • [(1R,5S)-3,3,5-Trimethylcyclohexyl]acetate
    • 24691-18-7

  • Applications

    Cyclohexanol, 3,3,5-trimethyl-, 1-acetate, (1R,5S)-rel- (CAS 24691-18-7) is commonly used as a fragrance ingredient and odorant in the perfumery and cosmetics industries, and it can act as a fixative to improve fragrance longevity; it is also employed as a fragrance component in personal care formulations and may contribute to aromas in household products such as scented cleaners; in industrial manufacturing, it serves as an intermediate for the synthesis of other fragrance compounds; its use in formulations is subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 684.72
    methanol 1033.5
    isopropanol 474.39
    water 4.44
    ethyl acetate 467.51
    n-propanol 461.49
    acetone 510.79
    n-butanol 433.11
    acetonitrile 468.68
    DMF 666.91
    toluene 280.18
    isobutanol 362.23
    1,4-dioxane 1143.63
    methyl acetate 417.77
    THF 1658.4
    2-butanone 367.63
    n-pentanol 252.81
    sec-butanol 356.73
    n-hexane 86.08
    ethylene glycol 151.38
    NMP 777.04
    cyclohexane 191.4
    DMSO 415.73
    n-butyl acetate 454.31
    n-octanol 282.49
    chloroform 1536.83
    n-propyl acetate 261.58
    acetic acid 788.36
    dichloromethane 1020.9
    cyclohexanone 824.21
    propylene glycol 263.84
    isopropyl acetate 311.47
    DMAc 439.69
    2-ethoxyethanol 248.51
    isopentanol 347.81
    n-heptane 83.35
    ethyl formate 384.64
    1,2-dichloroethane 486.16
    n-hexanol 645.54
    2-methoxyethanol 648.55
    isobutyl acetate 214.66
    tetrachloromethane 195.6
    n-pentyl acetate 257.79
    transcutol 1261.24
    n-heptanol 241.24
    ethylbenzene 148.55
    MIBK 241.61
    2-propoxyethanol 716.06
    tert-butanol 569.94
    MTBE 371.14
    2-butoxyethanol 310.99
    propionic acid 455.52
    o-xylene 191.7
    formic acid 301.57
    diethyl ether 374.29
    m-xylene 224.2
    p-xylene 212.26
    chlorobenzene 408.85
    dimethyl carbonate 174.5
    n-octane 27.94
    formamide 243.59
    cyclopentanone 789.26
    2-pentanone 338.79
    anisole 263.92
    cyclopentyl methyl ether 617.09
    gamma-butyrolactone 1056.61
    1-methoxy-2-propanol 494.22
    pyridine 563.42
    3-pentanone 248.99
    furfural 810.19
    n-dodecane 26.15
    diethylene glycol 461.23
    diisopropyl ether 138.39
    tert-amyl alcohol 391.7
    acetylacetone 423.69
    n-hexadecane 29.81
    acetophenone 255.4
    methyl propionate 338.0
    isopentyl acetate 407.64
    trichloroethylene 1018.99
    n-nonanol 231.54
    cyclohexanol 560.05
    benzyl alcohol 235.33
    2-ethylhexanol 314.94
    isooctanol 177.78
    dipropyl ether 292.16
    1,2-dichlorobenzene 358.33
    ethyl lactate 155.37
    propylene carbonate 681.18
    n-methylformamide 390.22
    2-pentanol 265.35
    n-pentane 82.9
    1-propoxy-2-propanol 484.55
    1-methoxy-2-propyl acetate 451.18
    2-(2-methoxypropoxy) propanol 357.81
    mesitylene 151.81
    ε-caprolactone 761.08
    p-cymene 146.37
    epichlorohydrin 890.26
    1,1,1-trichloroethane 561.76
    2-aminoethanol 312.72
    morpholine-4-carbaldehyde 799.54
    sulfolane 820.7
    2,2,4-trimethylpentane 44.88
    2-methyltetrahydrofuran 939.5
    n-hexyl acetate 475.22
    isooctane 36.75
    2-(2-butoxyethoxy)ethanol 487.07
    sec-butyl acetate 188.03
    tert-butyl acetate 334.79
    decalin 68.36
    glycerin 303.54
    diglyme 670.22
    acrylic acid 380.04
    isopropyl myristate 179.31
    n-butyric acid 639.38
    acetyl acetate 392.21
    di(2-ethylhexyl) phthalate 198.37
    ethyl propionate 238.19
    nitromethane 781.71
    1,2-diethoxyethane 365.21
    benzonitrile 403.74
    trioctyl phosphate 148.07
    1-bromopropane 334.02
    gamma-valerolactone 1094.64
    n-decanol 170.3
    triethyl phosphate 150.08
    4-methyl-2-pentanol 184.41
    propionitrile 344.41
    vinylene carbonate 612.95
    1,1,2-trichlorotrifluoroethane 610.67
    DMS 317.09
    cumene 113.91
    2-octanol 166.31
    2-hexanone 239.19
    octyl acetate 238.09
    limonene 227.93
    1,2-dimethoxyethane 502.08
    ethyl orthosilicate 147.0
    tributyl phosphate 182.7
    diacetone alcohol 359.01
    N,N-dimethylaniline 182.76
    acrylonitrile 396.49
    aniline 325.16
    1,3-propanediol 404.83
    bromobenzene 407.94
    dibromomethane 698.92
    1,1,2,2-tetrachloroethane 819.25
    2-methyl-cyclohexyl acetate 291.09
    tetrabutyl urea 212.16
    diisobutyl methanol 162.89
    2-phenylethanol 358.81
    styrene 161.75
    dioctyl adipate 251.8
    dimethyl sulfate 224.76
    ethyl butyrate 281.82
    methyl lactate 207.83
    butyl lactate 251.19
    diethyl carbonate 213.62
    propanediol butyl ether 381.5
    triethyl orthoformate 219.22
    p-tert-butyltoluene 149.45
    methyl 4-tert-butylbenzoate 295.74
    morpholine 1197.77
    tert-butylamine 390.56
    n-dodecanol 128.33
    dimethoxymethane 478.89
    ethylene carbonate 524.1
    cyrene 304.58
    2-ethoxyethyl acetate 332.98
    2-ethylhexyl acetate 321.73
    1,2,4-trichlorobenzene 424.87
    4-methylpyridine 603.06
    dibutyl ether 245.87
    2,6-dimethyl-4-heptanol 162.89
    DEF 348.86
    dimethyl isosorbide 629.61
    tetrachloroethylene 507.41
    eugenol 272.28
    triacetin 371.87
    span 80 408.52
    1,4-butanediol 136.1
    1,1-dichloroethane 565.98
    2-methyl-1-pentanol 221.33
    methyl formate 363.04
    2-methyl-1-butanol 314.05
    n-decane 42.21
    butyronitrile 461.29
    3,7-dimethyl-1-octanol 249.09
    1-chlorooctane 161.98
    1-chlorotetradecane 69.25
    n-nonane 42.05
    undecane 32.05
    tert-butylcyclohexane 60.32
    cyclooctane 62.17
    cyclopentanol 528.85
    tetrahydropyran 1013.79
    tert-amyl methyl ether 272.63
    2,5,8-trioxanonane 495.07
    1-hexene 208.29
    2-isopropoxyethanol 193.75
    2,2,2-trifluoroethanol 241.05
    methyl butyrate 305.71

    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