Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, 1-acetate, (1R,3S,4S)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    60031-93-8

    Molecular formula
    C17H28O2

    SMILES
    CC(=C)C1C(C(CCC1(C)C=C)COC(=O)C)(C)C

  • Odor profile

    Fragrance
    Sweet 74.84%
    Woody 73.2%
    Fruity 67.31%
    Citrus 54.25%
    Floral 53.47%
    Herbal 49.1%
    Spicy 46.24%
    Green 44.23%
    Fresh 41.57%
    Rose 38.36%

     

    Flavor
    Woody 78.79%
    Sweet 61.6%
    Floral 48.18%
    Citrus 39.7%
    Lavender 38.7%
    Bergamot 37.47%
    Wood 36.53%
    Tropical 35.48%
    Herbal 34.94%
    Green 33.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    7.53 (neutral)

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 134.99 ˚C est.

  • Synonyms

    • 60031-93-8
    • Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, acetate, (1R,3S,4S)-
    • Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, 1-acetate, (1R,3S,4S)-
    • [4-ethenyl-2,2,4-trimethyl-3-(prop-1-en-2-yl)cyclohexyl]methyl acetate
    • elemol acetate
    • DTXSID20904399
    • DTXSID50276056
    • WVBWGEUOGUDKGD-UHFFFAOYSA-N
    • 22601-92-9
    • Cyclohexanemethanol, 4-ethenyl-.alpha.,.alpha.,4-trimethyl-3-(1-methylethenyl)-, 1-acetate, (1R,3S,4S)-
    • Cyclohexanemethanol, 4-ethenyl-.alpha.,.alpha.,4-trimethyl-3-(1-methylethenyl)-, acetate, (1R,3S,4S)-

  • Applications

    Known as Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, 1-acetate, (1R,3S,4S)- (CAS 60031-93-8), this compound is primarily used in industry as a fragrance ingredient and may function as a fragrance fixative in scent formulations; it is added to cosmetics and personal care products to impart and sustain aroma; it is used in household products such as detergents and cleaners to provide fragrance; it can serve as an intermediate in the synthesis of other fragrance compounds and related esters in industrial manufacturing; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 976.93
    methanol 1066.67
    isopropanol 977.86
    water 1.33
    ethyl acetate 949.66
    n-propanol 1004.62
    acetone 1067.25
    n-butanol 810.9
    acetonitrile 891.24
    DMF 1884.17
    toluene 1040.28
    isobutanol 839.1
    1,4-dioxane 1645.75
    methyl acetate 767.2
    THF 3423.64
    2-butanone 889.52
    n-pentanol 442.75
    sec-butanol 787.26
    n-hexane 76.34
    ethylene glycol 133.49
    NMP 1542.34
    cyclohexane 152.97
    DMSO 865.72
    n-butyl acetate 557.18
    n-octanol 285.84
    chloroform 2057.9
    n-propyl acetate 410.13
    acetic acid 553.33
    dichloromethane 1861.57
    cyclohexanone 1512.3
    propylene glycol 302.41
    isopropyl acetate 715.69
    DMAc 1001.62
    2-ethoxyethanol 453.64
    isopentanol 702.5
    n-heptane 51.49
    ethyl formate 510.91
    1,2-dichloroethane 1190.41
    n-hexanol 788.96
    2-methoxyethanol 996.53
    isobutyl acetate 325.69
    tetrachloromethane 329.69
    n-pentyl acetate 420.55
    transcutol 1366.71
    n-heptanol 285.61
    ethylbenzene 324.49
    MIBK 636.12
    2-propoxyethanol 950.29
    tert-butanol 1166.28
    MTBE 988.2
    2-butoxyethanol 418.33
    propionic acid 538.57
    o-xylene 459.24
    formic acid 206.0
    diethyl ether 912.61
    m-xylene 774.89
    p-xylene 362.65
    chlorobenzene 826.13
    dimethyl carbonate 423.85
    n-octane 21.69
    formamide 271.59
    cyclopentanone 1941.86
    2-pentanone 904.01
    anisole 531.24
    cyclopentyl methyl ether 1744.95
    gamma-butyrolactone 2025.19
    1-methoxy-2-propanol 1102.86
    pyridine 1123.65
    3-pentanone 642.88
    furfural 1124.53
    n-dodecane 14.17
    diethylene glycol 519.54
    diisopropyl ether 325.2
    tert-amyl alcohol 787.01
    acetylacetone 888.95
    n-hexadecane 17.07
    acetophenone 431.54
    methyl propionate 805.88
    isopentyl acetate 547.26
    trichloroethylene 1970.54
    n-nonanol 229.38
    cyclohexanol 981.05
    benzyl alcohol 432.38
    2-ethylhexanol 320.33
    isooctanol 234.59
    dipropyl ether 373.44
    1,2-dichlorobenzene 596.36
    ethyl lactate 208.22
    propylene carbonate 887.65
    n-methylformamide 823.9
    2-pentanol 636.9
    n-pentane 98.72
    1-propoxy-2-propanol 660.24
    1-methoxy-2-propyl acetate 732.41
    2-(2-methoxypropoxy) propanol 344.76
    mesitylene 390.97
    ε-caprolactone 1163.67
    p-cymene 176.66
    epichlorohydrin 2169.37
    1,1,1-trichloroethane 1186.33
    2-aminoethanol 372.86
    morpholine-4-carbaldehyde 1319.27
    sulfolane 1689.3
    2,2,4-trimethylpentane 55.25
    2-methyltetrahydrofuran 2121.47
    n-hexyl acetate 614.3
    isooctane 48.24
    2-(2-butoxyethoxy)ethanol 479.71
    sec-butyl acetate 335.65
    tert-butyl acetate 797.34
    decalin 71.28
    glycerin 326.46
    diglyme 843.01
    acrylic acid 401.2
    isopropyl myristate 181.92
    n-butyric acid 768.78
    acetyl acetate 552.68
    di(2-ethylhexyl) phthalate 180.95
    ethyl propionate 397.83
    nitromethane 970.28
    1,2-diethoxyethane 508.15
    benzonitrile 596.07
    trioctyl phosphate 142.99
    1-bromopropane 886.43
    gamma-valerolactone 1883.16
    n-decanol 156.66
    triethyl phosphate 163.47
    4-methyl-2-pentanol 376.76
    propionitrile 794.36
    vinylene carbonate 778.47
    1,1,2-trichlorotrifluoroethane 826.01
    DMS 458.1
    cumene 202.82
    2-octanol 223.22
    2-hexanone 430.72
    octyl acetate 240.84
    limonene 272.7
    1,2-dimethoxyethane 765.45
    ethyl orthosilicate 167.54
    tributyl phosphate 164.62
    diacetone alcohol 726.38
    N,N-dimethylaniline 360.17
    acrylonitrile 807.52
    aniline 838.63
    1,3-propanediol 538.44
    bromobenzene 890.55
    dibromomethane 1244.32
    1,1,2,2-tetrachloroethane 1468.21
    2-methyl-cyclohexyl acetate 326.67
    tetrabutyl urea 212.31
    diisobutyl methanol 172.83
    2-phenylethanol 519.71
    styrene 373.18
    dioctyl adipate 228.9
    dimethyl sulfate 603.78
    ethyl butyrate 342.0
    methyl lactate 383.03
    butyl lactate 310.08
    diethyl carbonate 211.84
    propanediol butyl ether 429.06
    triethyl orthoformate 250.44
    p-tert-butyltoluene 189.97
    methyl 4-tert-butylbenzoate 437.56
    morpholine 2034.96
    tert-butylamine 753.34
    n-dodecanol 109.78
    dimethoxymethane 1356.78
    ethylene carbonate 680.4
    cyrene 371.58
    2-ethoxyethyl acetate 553.65
    2-ethylhexyl acetate 412.3
    1,2,4-trichlorobenzene 698.0
    4-methylpyridine 1417.15
    dibutyl ether 275.86
    2,6-dimethyl-4-heptanol 172.83
    DEF 805.81
    dimethyl isosorbide 720.0
    tetrachloroethylene 859.46
    eugenol 352.8
    triacetin 423.12
    span 80 329.22
    1,4-butanediol 189.84
    1,1-dichloroethane 1331.59
    2-methyl-1-pentanol 382.21
    methyl formate 661.31
    2-methyl-1-butanol 690.05
    n-decane 30.76
    butyronitrile 860.33
    3,7-dimethyl-1-octanol 259.48
    1-chlorooctane 182.98
    1-chlorotetradecane 55.18
    n-nonane 31.13
    undecane 20.02
    tert-butylcyclohexane 66.91
    cyclooctane 52.77
    cyclopentanol 1095.65
    tetrahydropyran 1967.82
    tert-amyl methyl ether 640.47
    2,5,8-trioxanonane 508.93
    1-hexene 290.61
    2-isopropoxyethanol 345.99
    2,2,2-trifluoroethanol 266.67
    methyl butyrate 484.05

    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