Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-propanoate

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  • Identifiers

    CAS number
    67874-74-2

    Molecular formula
    C14H26O2

    SMILES
    CCC(=O)OC1CCC(CC1)C(C)(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Woody 81.28%
    Fruity 73.54%
    Herbal 49.12%
    Floral 48.86%
    Sweet 43.58%
    Balsamic 39.5%
    Dry 38.9%
    Green 36.29%
    Pine 35.51%
    Fresh 35.37%

     

    Flavor
    Green 58.93%
    Woody 43.84%
    Herbal 43.2%
    Fruity 40.05%
    Sweet 37.96%
    Floral 34.14%
    Tropical 33.26%
    Fruit 32.44%
    Waxy 31.59%
    Fresh 28.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    9.02 (weak base)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    272°C

    Flash point

    • 112.95 ˚C est.

  • Synonyms

    • 4-tert-Amylcyclohexylpropionate
    • 67874-74-2
    • EINECS 267-502-1
    • Cyclohexanol, 4-(1,1-dimethylpropyl)-, propanoate
    • Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-propanoate
    • DTXSID30886990
    • RefChem:129632
    • DTXCID801026306
    • 4-(1,1-Dimethylpropyl)cyclohexyl propionate
    • 4-(2-METHYLBUTAN-2-YL)CYCLOHEXYL PROPANOATE
    • GVISYVOTFWAAPI-UHFFFAOYSA-N
    • NS00054458
    • 67874-74-2

  • Applications

    For CAS 67874-74-2, the chemical name is Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-propanoate. This ester is typically used as a fragrance ingredient and odorant in perfumery and cosmetics, contributing specific scent notes. It is also evaluated as an intermediate or building block in organic synthesis for fragrance components and for formulations in household and personal care products. It may function as a solvent or co-solvent in industrial formulations. It appears in household cleaners and air fresheners as a fragrance component and may be used in coatings or inks as a fragrance additive. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2947.02
    methanol 2517.85
    isopropanol 3412.13
    water 0.41
    ethyl acetate 5216.22
    n-propanol 2627.89
    acetone 4827.76
    n-butanol 2258.48
    acetonitrile 3529.26
    DMF 3959.7
    toluene 1783.84
    isobutanol 2128.51
    1,4-dioxane 4410.44
    methyl acetate 3439.83
    THF 5941.5
    2-butanone 3797.05
    n-pentanol 1219.98
    sec-butanol 2223.62
    n-hexane 358.11
    ethylene glycol 192.32
    NMP 2436.85
    cyclohexane 558.6
    DMSO 2378.79
    n-butyl acetate 3121.14
    n-octanol 760.12
    chloroform 6494.29
    n-propyl acetate 2279.64
    acetic acid 1255.7
    dichloromethane 5817.14
    cyclohexanone 4289.21
    propylene glycol 482.64
    isopropyl acetate 3673.25
    DMAc 2746.12
    2-ethoxyethanol 1616.6
    isopentanol 2157.7
    n-heptane 144.61
    ethyl formate 1859.26
    1,2-dichloroethane 4135.25
    n-hexanol 1717.25
    2-methoxyethanol 2593.28
    isobutyl acetate 1641.93
    tetrachloromethane 1154.37
    n-pentyl acetate 1587.86
    transcutol 6446.36
    n-heptanol 700.32
    ethylbenzene 855.21
    MIBK 2017.57
    2-propoxyethanol 2602.97
    tert-butanol 3993.95
    MTBE 5962.9
    2-butoxyethanol 1197.24
    propionic acid 1543.86
    o-xylene 993.4
    formic acid 265.98
    diethyl ether 4224.19
    m-xylene 1241.76
    p-xylene 1135.56
    chlorobenzene 2265.55
    dimethyl carbonate 933.58
    n-octane 86.96
    formamide 603.03
    cyclopentanone 4328.4
    2-pentanone 3234.86
    anisole 1703.7
    cyclopentyl methyl ether 3033.98
    gamma-butyrolactone 4258.52
    1-methoxy-2-propanol 2552.85
    pyridine 2931.43
    3-pentanone 2369.39
    furfural 2718.58
    n-dodecane 63.8
    diethylene glycol 1171.46
    diisopropyl ether 1498.73
    tert-amyl alcohol 2801.67
    acetylacetone 3389.96
    n-hexadecane 78.67
    acetophenone 1332.36
    methyl propionate 2775.99
    isopentyl acetate 2782.2
    trichloroethylene 6006.7
    n-nonanol 642.49
    cyclohexanol 1978.55
    benzyl alcohol 1007.14
    2-ethylhexanol 978.12
    isooctanol 642.81
    dipropyl ether 1453.61
    1,2-dichlorobenzene 1931.75
    ethyl lactate 638.15
    propylene carbonate 2380.16
    n-methylformamide 1755.28
    2-pentanol 1723.45
    n-pentane 287.04
    1-propoxy-2-propanol 2087.71
    1-methoxy-2-propyl acetate 2740.68
    2-(2-methoxypropoxy) propanol 1146.19
    mesitylene 818.79
    ε-caprolactone 3596.21
    p-cymene 480.3
    epichlorohydrin 4849.61
    1,1,1-trichloroethane 4556.18
    2-aminoethanol 730.91
    morpholine-4-carbaldehyde 2951.85
    sulfolane 3791.69
    2,2,4-trimethylpentane 185.92
    2-methyltetrahydrofuran 4539.62
    n-hexyl acetate 2142.31
    isooctane 176.22
    2-(2-butoxyethoxy)ethanol 1737.9
    sec-butyl acetate 1912.43
    tert-butyl acetate 3460.55
    decalin 270.98
    glycerin 500.69
    diglyme 2983.28
    acrylic acid 879.18
    isopropyl myristate 724.06
    n-butyric acid 2862.52
    acetyl acetate 2364.37
    di(2-ethylhexyl) phthalate 524.31
    ethyl propionate 2013.5
    nitromethane 2876.8
    1,2-diethoxyethane 2983.29
    benzonitrile 1723.85
    trioctyl phosphate 402.44
    1-bromopropane 2888.1
    gamma-valerolactone 4714.54
    n-decanol 442.17
    triethyl phosphate 546.58
    4-methyl-2-pentanol 1064.07
    propionitrile 3067.86
    vinylene carbonate 1913.29
    1,1,2-trichlorotrifluoroethane 2045.03
    DMS 1543.23
    cumene 590.5
    2-octanol 599.3
    2-hexanone 1910.17
    octyl acetate 872.74
    limonene 789.09
    1,2-dimethoxyethane 3073.27
    ethyl orthosilicate 562.74
    tributyl phosphate 571.97
    diacetone alcohol 2274.78
    N,N-dimethylaniline 962.67
    acrylonitrile 2569.05
    aniline 1808.82
    1,3-propanediol 1236.78
    bromobenzene 2623.93
    dibromomethane 4177.64
    1,1,2,2-tetrachloroethane 5127.7
    2-methyl-cyclohexyl acetate 1138.58
    tetrabutyl urea 627.46
    diisobutyl methanol 574.13
    2-phenylethanol 1138.08
    styrene 1114.04
    dioctyl adipate 893.62
    dimethyl sulfate 1206.95
    ethyl butyrate 1742.42
    methyl lactate 834.16
    butyl lactate 1012.62
    diethyl carbonate 977.92
    propanediol butyl ether 1093.55
    triethyl orthoformate 999.88
    p-tert-butyltoluene 491.2
    methyl 4-tert-butylbenzoate 1138.52
    morpholine 5032.88
    tert-butylamine 2907.21
    n-dodecanol 321.78
    dimethoxymethane 2853.25
    ethylene carbonate 1957.49
    cyrene 758.21
    2-ethoxyethyl acetate 1984.82
    2-ethylhexyl acetate 2032.67
    1,2,4-trichlorobenzene 2087.19
    4-methylpyridine 3456.95
    dibutyl ether 1451.57
    2,6-dimethyl-4-heptanol 574.13
    DEF 3081.62
    dimethyl isosorbide 1926.68
    tetrachloroethylene 2849.04
    eugenol 913.17
    triacetin 1472.79
    span 80 971.05
    1,4-butanediol 455.27
    1,1-dichloroethane 5133.25
    2-methyl-1-pentanol 1201.12
    methyl formate 1222.83
    2-methyl-1-butanol 1809.02
    n-decane 124.89
    butyronitrile 3138.5
    3,7-dimethyl-1-octanol 872.44
    1-chlorooctane 670.93
    1-chlorotetradecane 232.49
    n-nonane 127.52
    undecane 85.17
    tert-butylcyclohexane 263.68
    cyclooctane 174.02
    cyclopentanol 1976.6
    tetrahydropyran 5140.14
    tert-amyl methyl ether 2714.52
    2,5,8-trioxanonane 1777.53
    1-hexene 1311.54
    2-isopropoxyethanol 1360.26
    2,2,2-trifluoroethanol 484.69
    methyl butyrate 2526.8

    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