Cyclohexanol, 4-(3-methylbutyl)-

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  • Identifiers

    CAS number
    830322-14-0

    Molecular formula
    C11H22O

    SMILES
    CC(C)CCC1CCC(CC1)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 86.31%
    Rose 55.49%
    Muguet 55.41%
    Lily 53.17%
    Fresh 48.8%
    Green 46.66%
    Clean 43.7%
    Woody 42.5%
    Herbal 35.44%
    Citrus 34.02%

     

    Flavor
    Herbal 30.15%
    Herb 29.61%
    Spice 28.71%
    Musty 27.86%
    Fresh 27.73%
    Minty 25.89%
    Woody 24.26%
    Mentholic 23.95%
    Sweet 23.03%
    Mild 23.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.18 (weak base)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 99.83 ˚C est.

  • Synonyms

    • Cyclohexanol, 4-(3-methylbutyl)-
    • 830322-14-0
    • 4-(3-METHYLBUTYL)CYCLOHEXAN-1-OL
    • DTXSID50889100
    • 4-isoamylcyclohexanol
    • cis-4-isoamylcyclohexanol
    • trans-4-isoamylcyclohexanol
    • 4-(3-Methylbutyl)cyclohexanol
    • SCHEMBL1153349
    • SCHEMBL1153977
    • SCHEMBL1154068
    • QNRGJHPSMHZLCY-PHIMTYICSA-N
    • QNRGJHPSMHZLCY-XYPYZODXSA-N
    • DTXCID301028369
    • 454-810-8
    • 686-263-8

  • Applications

    Cyclohexanol, 4-(3-methylbutyl)- is used as an organic intermediate in fragrance chemistry, serving as a fragrance component and may act as a fragrance fixative; in cosmetics and personal care, it can function as a fragrance ingredient or mild solvent; in coatings and inks, it can serve as a solvent or processing aid; in the polymers/plastics sector, it provides a building block for synthetic compounds or can act as a plasticizer; and in industrial manufacturing or cleaning formulations, it may appear as a solvent or fragrance carrier, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2040.44
    methanol 897.48
    isopropanol 2853.66
    water 0.09
    ethyl acetate 1902.85
    n-propanol 2115.92
    acetone 2212.37
    n-butanol 2180.93
    acetonitrile 1215.6
    DMF 862.43
    toluene 579.03
    isobutanol 1674.25
    1,4-dioxane 2443.77
    methyl acetate 1341.31
    THF 4309.04
    2-butanone 2051.59
    n-pentanol 1176.19
    sec-butanol 1959.85
    n-hexane 712.93
    ethylene glycol 107.4
    NMP 459.35
    cyclohexane 689.79
    DMSO 1107.15
    n-butyl acetate 2094.02
    n-octanol 612.13
    chloroform 2354.87
    n-propyl acetate 1119.15
    acetic acid 630.05
    dichloromethane 1701.55
    cyclohexanone 1870.41
    propylene glycol 390.42
    isopropyl acetate 1313.6
    DMAc 586.61
    2-ethoxyethanol 979.4
    isopentanol 1850.02
    n-heptane 579.86
    ethyl formate 831.36
    1,2-dichloroethane 1260.9
    n-hexanol 2260.02
    2-methoxyethanol 1593.55
    isobutyl acetate 750.58
    tetrachloromethane 482.71
    n-pentyl acetate 753.79
    transcutol 2975.97
    n-heptanol 759.85
    ethylbenzene 319.79
    MIBK 1089.9
    2-propoxyethanol 2077.13
    tert-butanol 3683.11
    MTBE 3123.58
    2-butoxyethanol 969.3
    propionic acid 872.27
    o-xylene 322.71
    formic acid 74.64
    diethyl ether 2457.11
    m-xylene 433.11
    p-xylene 389.66
    chlorobenzene 601.62
    dimethyl carbonate 177.11
    n-octane 168.72
    formamide 134.81
    cyclopentanone 1880.24
    2-pentanone 1868.23
    anisole 558.52
    cyclopentyl methyl ether 1588.91
    gamma-butyrolactone 1539.7
    1-methoxy-2-propanol 1655.48
    pyridine 1304.35
    3-pentanone 959.34
    furfural 926.32
    n-dodecane 91.41
    diethylene glycol 740.32
    diisopropyl ether 909.62
    tert-amyl alcohol 1926.76
    acetylacetone 1150.99
    n-hexadecane 104.62
    acetophenone 406.95
    methyl propionate 901.13
    isopentyl acetate 1673.36
    trichloroethylene 1739.33
    n-nonanol 517.55
    cyclohexanol 1357.95
    benzyl alcohol 391.44
    2-ethylhexanol 1251.53
    isooctanol 607.77
    dipropyl ether 2215.48
    1,2-dichlorobenzene 445.29
    ethyl lactate 323.48
    propylene carbonate 881.12
    n-methylformamide 494.0
    2-pentanol 1687.86
    n-pentane 540.29
    1-propoxy-2-propanol 2012.18
    1-methoxy-2-propyl acetate 1277.6
    2-(2-methoxypropoxy) propanol 588.9
    mesitylene 299.69
    ε-caprolactone 1333.95
    p-cymene 312.46
    epichlorohydrin 1831.91
    1,1,1-trichloroethane 1455.39
    2-aminoethanol 448.18
    morpholine-4-carbaldehyde 878.64
    sulfolane 1072.04
    2,2,4-trimethylpentane 191.46
    2-methyltetrahydrofuran 2928.82
    n-hexyl acetate 967.23
    isooctane 230.94
    2-(2-butoxyethoxy)ethanol 1016.4
    sec-butyl acetate 768.9
    tert-butyl acetate 1320.62
    decalin 217.92
    glycerin 333.87
    diglyme 1690.63
    acrylic acid 410.75
    isopropyl myristate 390.9
    n-butyric acid 1931.89
    acetyl acetate 645.73
    di(2-ethylhexyl) phthalate 229.85
    ethyl propionate 806.55
    nitromethane 872.14
    1,2-diethoxyethane 1805.82
    benzonitrile 578.08
    trioctyl phosphate 224.24
    1-bromopropane 1451.64
    gamma-valerolactone 1879.8
    n-decanol 401.85
    triethyl phosphate 299.96
    4-methyl-2-pentanol 928.33
    propionitrile 1515.02
    vinylene carbonate 604.81
    1,1,2-trichlorotrifluoroethane 817.41
    DMS 380.21
    cumene 234.66
    2-octanol 488.43
    2-hexanone 1214.75
    octyl acetate 437.81
    limonene 620.5
    1,2-dimethoxyethane 1930.83
    ethyl orthosilicate 351.59
    tributyl phosphate 284.67
    diacetone alcohol 1113.82
    N,N-dimethylaniline 306.97
    acrylonitrile 956.44
    aniline 684.44
    1,3-propanediol 875.23
    bromobenzene 642.25
    dibromomethane 1477.96
    1,1,2,2-tetrachloroethane 1529.57
    2-methyl-cyclohexyl acetate 645.28
    tetrabutyl urea 311.54
    diisobutyl methanol 703.59
    2-phenylethanol 582.18
    styrene 388.75
    dioctyl adipate 406.79
    dimethyl sulfate 210.74
    ethyl butyrate 1282.48
    methyl lactate 326.86
    butyl lactate 514.79
    diethyl carbonate 584.18
    propanediol butyl ether 696.8
    triethyl orthoformate 743.27
    p-tert-butyltoluene 328.84
    methyl 4-tert-butylbenzoate 416.19
    morpholine 2830.32
    tert-butylamine 2728.54
    n-dodecanol 319.3
    dimethoxymethane 994.84
    ethylene carbonate 637.9
    cyrene 335.41
    2-ethoxyethyl acetate 764.79
    2-ethylhexyl acetate 1231.98
    1,2,4-trichlorobenzene 487.66
    4-methylpyridine 1218.65
    dibutyl ether 1309.36
    2,6-dimethyl-4-heptanol 703.59
    DEF 995.39
    dimethyl isosorbide 839.39
    tetrachloroethylene 925.37
    eugenol 351.95
    triacetin 541.99
    span 80 612.26
    1,4-butanediol 282.79
    1,1-dichloroethane 1969.16
    2-methyl-1-pentanol 867.43
    methyl formate 336.37
    2-methyl-1-butanol 1323.57
    n-decane 185.2
    butyronitrile 2081.11
    3,7-dimethyl-1-octanol 724.81
    1-chlorooctane 510.76
    1-chlorotetradecane 185.52
    n-nonane 205.93
    undecane 124.93
    tert-butylcyclohexane 246.19
    cyclooctane 232.74
    cyclopentanol 1301.04
    tetrahydropyran 3542.12
    tert-amyl methyl ether 1396.33
    2,5,8-trioxanonane 915.14
    1-hexene 1543.33
    2-isopropoxyethanol 829.48
    2,2,2-trifluoroethanol 130.59
    methyl butyrate 1123.48

    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