1-Cyclohexen-1-ol, 4-tert-butyl-, hexanoate

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  • Identifiers

    CAS number
    70288-98-1

    Molecular formula
    C16H28O2

    SMILES
    CCCCCC(=O)OC1=CCC(CC1)C(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 63.43%
    Fruity 62.93%
    Woody 48.27%
    Floral 36.78%
    Balsamic 33.88%
    Spicy 33.53%
    Mint 32.5%
    Tobacco 28.41%
    Oily 28.24%
    Dry 28.22%

     

    Flavor
    Herbal 42.28%
    Green 37.13%
    Woody 33.03%
    Fruity 31.79%
    Oily 29.26%
    Sweet 26.85%
    Tropical 25.84%
    Waxy 25.25%
    Floral 24.2%
    Warm 23.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    8.08 (weak base)

    Molecular weight
    252.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    289°C

    Flash point

    • 137.97 ˚C est.

  • Synonyms

    • 1-Cyclohexen-1-ol, 4-tert-butyl-, hexanoate
    • 70288-98-1
    • DTXSID00990492
    • 4-TERT-BUTYLCYCLOHEX-1-EN-1-YL HEXANOATE
    • 70288-98-1

  • Applications

    1-Cyclohexen-1-ol, 4-tert-butyl-, hexanoate (CAS 70288-98-1) is primarily used as a fragrance ingredient in perfumery, contributing green, woody notes from the cyclohexene framework and tert-butyl substituent. It is commonly evaluated for use as a fragrance fixative or enhancer in cosmetic and personal care formulations (lotions, creams, and soaps). The compound may be employed as a fragrance component in household cleaning products where a distinctive aroma is desired. In industrial manufacturing, it can serve as an aroma intermediate or additive in coatings, inks, and adhesive formulations. It may also act as an intermediate in organic synthesis for fragrance-related chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1872.96
    methanol 1201.29
    isopropanol 1580.8
    water 0.14
    ethyl acetate 3142.67
    n-propanol 1370.45
    acetone 2356.01
    n-butanol 1344.24
    acetonitrile 1287.82
    DMF 2533.45
    toluene 1278.78
    isobutanol 1128.39
    1,4-dioxane 2761.68
    methyl acetate 1857.25
    THF 4522.17
    2-butanone 2143.61
    n-pentanol 802.24
    sec-butanol 1214.53
    n-hexane 194.5
    ethylene glycol 99.68
    NMP 1904.83
    cyclohexane 369.31
    DMSO 1435.08
    n-butyl acetate 2075.19
    n-octanol 507.33
    chloroform 4346.32
    n-propyl acetate 1309.9
    acetic acid 882.28
    dichloromethane 4014.52
    cyclohexanone 2649.2
    propylene glycol 299.19
    isopropyl acetate 2397.09
    DMAc 2225.73
    2-ethoxyethanol 1016.75
    isopentanol 1384.12
    n-heptane 98.24
    ethyl formate 901.3
    1,2-dichloroethane 2945.12
    n-hexanol 1185.86
    2-methoxyethanol 1690.82
    isobutyl acetate 1027.74
    tetrachloromethane 463.45
    n-pentyl acetate 1026.25
    transcutol 6530.32
    n-heptanol 461.66
    ethylbenzene 559.85
    MIBK 1507.98
    2-propoxyethanol 1878.55
    tert-butanol 1836.54
    MTBE 3096.2
    2-butoxyethanol 916.57
    propionic acid 766.68
    o-xylene 665.3
    formic acid 180.6
    diethyl ether 2641.08
    m-xylene 921.95
    p-xylene 706.67
    chlorobenzene 1538.72
    dimethyl carbonate 647.45
    n-octane 53.39
    formamide 353.21
    cyclopentanone 2639.32
    2-pentanone 2182.28
    anisole 1160.16
    cyclopentyl methyl ether 2327.12
    gamma-butyrolactone 2478.02
    1-methoxy-2-propanol 1770.11
    pyridine 1988.21
    3-pentanone 1493.02
    furfural 1699.49
    n-dodecane 49.66
    diethylene glycol 921.37
    diisopropyl ether 1022.83
    tert-amyl alcohol 1476.83
    acetylacetone 2420.44
    n-hexadecane 60.15
    acetophenone 927.66
    methyl propionate 1866.58
    isopentyl acetate 2017.48
    trichloroethylene 4344.91
    n-nonanol 479.24
    cyclohexanol 1319.87
    benzyl alcohol 703.39
    2-ethylhexanol 687.99
    isooctanol 430.37
    dipropyl ether 958.59
    1,2-dichlorobenzene 1332.02
    ethyl lactate 441.86
    propylene carbonate 1526.88
    n-methylformamide 857.05
    2-pentanol 1116.05
    n-pentane 178.97
    1-propoxy-2-propanol 1524.83
    1-methoxy-2-propyl acetate 2133.49
    2-(2-methoxypropoxy) propanol 1131.46
    mesitylene 576.42
    ε-caprolactone 2277.57
    p-cymene 327.45
    epichlorohydrin 3584.46
    1,1,1-trichloroethane 2654.25
    2-aminoethanol 419.22
    morpholine-4-carbaldehyde 2173.18
    sulfolane 2204.04
    2,2,4-trimethylpentane 126.3
    2-methyltetrahydrofuran 3610.96
    n-hexyl acetate 1595.92
    isooctane 123.79
    2-(2-butoxyethoxy)ethanol 1696.61
    sec-butyl acetate 1217.96
    tert-butyl acetate 2332.18
    decalin 192.92
    glycerin 322.59
    diglyme 2647.36
    acrylic acid 470.16
    isopropyl myristate 571.45
    n-butyric acid 1670.15
    acetyl acetate 1670.59
    di(2-ethylhexyl) phthalate 461.0
    ethyl propionate 1248.35
    nitromethane 1613.03
    1,2-diethoxyethane 2455.68
    benzonitrile 1071.38
    trioctyl phosphate 324.5
    1-bromopropane 1834.87
    gamma-valerolactone 3063.12
    n-decanol 355.76
    triethyl phosphate 413.03
    4-methyl-2-pentanol 762.82
    propionitrile 1085.14
    vinylene carbonate 1152.56
    1,1,2-trichlorotrifluoroethane 1439.44
    DMS 1179.36
    cumene 381.35
    2-octanol 356.71
    2-hexanone 1133.59
    octyl acetate 722.53
    limonene 546.44
    1,2-dimethoxyethane 1899.46
    ethyl orthosilicate 437.0
    tributyl phosphate 465.32
    diacetone alcohol 1669.81
    N,N-dimethylaniline 702.91
    acrylonitrile 1007.09
    aniline 1098.0
    1,3-propanediol 779.49
    bromobenzene 1863.21
    dibromomethane 2690.24
    1,1,2,2-tetrachloroethane 3941.53
    2-methyl-cyclohexyl acetate 879.05
    tetrabutyl urea 520.53
    diisobutyl methanol 419.07
    2-phenylethanol 895.99
    styrene 716.14
    dioctyl adipate 766.16
    dimethyl sulfate 790.84
    ethyl butyrate 1175.4
    methyl lactate 587.52
    butyl lactate 722.41
    diethyl carbonate 691.28
    propanediol butyl ether 878.92
    triethyl orthoformate 731.22
    p-tert-butyltoluene 345.81
    methyl 4-tert-butylbenzoate 894.34
    morpholine 3555.3
    tert-butylamine 1281.3
    n-dodecanol 264.0
    dimethoxymethane 2119.23
    ethylene carbonate 1154.22
    cyrene 631.99
    2-ethoxyethyl acetate 1644.38
    2-ethylhexyl acetate 1482.72
    1,2,4-trichlorobenzene 1559.97
    4-methylpyridine 2417.84
    dibutyl ether 987.36
    2,6-dimethyl-4-heptanol 419.07
    DEF 2172.56
    dimethyl isosorbide 1701.06
    tetrachloroethylene 1913.96
    eugenol 754.09
    triacetin 1210.89
    span 80 953.34
    1,4-butanediol 260.84
    1,1-dichloroethane 3056.19
    2-methyl-1-pentanol 864.98
    methyl formate 580.8
    2-methyl-1-butanol 1164.54
    n-decane 85.0
    butyronitrile 1446.72
    3,7-dimethyl-1-octanol 667.95
    1-chlorooctane 465.75
    1-chlorotetradecane 186.98
    n-nonane 78.64
    undecane 63.9
    tert-butylcyclohexane 178.99
    cyclooctane 121.06
    cyclopentanol 1161.45
    tetrahydropyran 3698.1
    tert-amyl methyl ether 1788.11
    2,5,8-trioxanonane 1684.29
    1-hexene 727.68
    2-isopropoxyethanol 926.88
    2,2,2-trifluoroethanol 247.21
    methyl butyrate 1429.09

    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