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

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  • Identifiers

    CAS number
    5349-51-9

    Molecular formula
    C11H22O

    SMILES
    CCC(C)(C)C1CCC(CC1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 77.94%
    Dry 45.31%
    Camphoreous 43.1%
    Amber 43.06%
    Floral 40.96%
    Clean 39.13%
    Earthy 38.24%
    Leathery 36.22%
    Sandalwood 35.11%
    Balsamic 34.56%

     

    Flavor
    Woody 38.73%
    Green 33.82%
    Earthy 31.18%
    Minty 30.38%
    Musty 28.44%
    Herbal 27.5%
    Spice 27.34%
    Camphor 27.31%
    Sweet 27.29%
    Fresh 26.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.72 (weak base)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 97.5 ˚C est.

  • Synonyms

    • 5349-51-9
    • 20698-30-0
    • 4-Tert-Amylcyclohexanol
    • 4-(tert-Pentyl)cyclohexanol
    • trans-4-tert-Amylcyclohexanol
    • trans-4-(tert-Pentyl)cyclohexanol
    • CIS-4-TERT-PENTYLCYCLOHEXANOL
    • 20698-29-7
    • TRANS-4-TERT-PENTYLCYCLOHEXANOL
    • p-tert-Amylcyclohexanol
    • 4-(2-methylbutan-2-yl)cyclohexan-1-ol
    • Cyclohexanol, 4-(1,1-dimethylpropyl)-
    • Cyclohexanol, 4-tert-pentyl-
    • 4-tert-Pentylcyclohexanol
    • NSC 1246
    • 4-(2-methylbutan-2-yl)cyclohexanol
    • EINECS 226-311-3
    • NSC 21165
    • Cyclohexanol, 4-(1,1-dimethylpropyl)-, trans-
    • 4-trans-tert-pentylcyclohexanol
    • 4-tert-Amylcyclohexanol, trans-
    • Cyclohexanol, 4-(1,1-dimethylpropyl)-, cis-
    • CE5FR4RF6H
    • Cyclohexanol, 4-tert-pentyl-, trans-
    • cis-4-tert-Amylcyclohexanol
    • 4-cis-tert-pentylcyclohexanol
    • 4-tert-Amylcyclohexanol, cis-
    • DTXSID9040716
    • X0DQ676P08
    • Cyclohexanol, 4-tert-pentyl-, cis-
    • (1S,4S)-4-(2-Methylbutan-2-yl)cyclohexan-1-ol
    • UNII-X0DQ676P08
    • tert-amylcyclohexanol
    • MFCD00019356
    • UNII-CE5FR4RF6H
    • para-tert-amyl cyclohexanol
    • 4-tert-Pentylcyclohexanol #
    • 4-tert-Amylcyclohexanol, mixture of cis and trans
    • trans-4-t-Pentylcyclohexanol
    • SCHEMBL1153388
    • SCHEMBL1162181
    • SCHEMBL2777600
    • CHEMBL3183330
    • DTXCID7020716
    • 4-(tert-pentyl)cyclohexan-1-ol
    • PARA-TERT-AMYLCYCLOHEXANOL
    • NSC1246
    • DTXSID901276340
    • NSC-1246
    • NSC21165
    • Tox21_301635
    • Cyclohexanol, 4-tert-pentyl-(8CI)
    • MFCD00067157
    • NSC-21165
    • AKOS000249586
    • AKOS006273561
    • 4-(1,1-dimethyl-propyl)-cyclohexanol
    • 4-tert-Pentylcyclohexanol, cis + trans
    • NCGC00164171-01
    • NCGC00164171-02
    • NCGC00255634-01
    • trans-4-(1,1-Dimethylpropyl)cyclohexanol
    • CAS-5349-51-9
    • DB-052343
    • CS-0204834
    • NS00011964
    • trans-4-(1,1-dimethyl-propyl)-cyclohexanol
    • trans-4-(l, l-dimethyl-propyl)-cyclohexanol
    • Cyclohexanol,4-(1,1-dimethylpropyl)-,trans-
    • Q27293175
    • Z335244810
    • 226-311-3

  • Applications

    Cyclohexanol, 4-(1,1-dimethylpropyl)- (CAS 5349-51-9) is primarily used as an intermediate in the synthesis of fragrance and aroma compounds for the perfumery industry; it is also evaluated as an intermediate for cosmetic and personal care applications; it can serve as a building block in polymer/plastics-related manufacturing within the chemical industry; it may appear as an intermediate in coatings/inks formulations and in household products that rely on fragrance components.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3600.5
    methanol 2266.65
    isopropanol 3359.93
    water 0.75
    ethyl acetate 4857.47
    n-propanol 3746.14
    acetone 5653.95
    n-butanol 3572.98
    acetonitrile 3386.31
    DMF 3091.44
    toluene 1318.05
    isobutanol 2504.56
    1,4-dioxane 4870.3
    methyl acetate 3482.58
    THF 9571.27
    2-butanone 4618.06
    n-pentanol 1272.26
    sec-butanol 2330.4
    n-hexane 490.48
    ethylene glycol 275.43
    NMP 2107.64
    cyclohexane 904.84
    DMSO 2959.97
    n-butyl acetate 3950.93
    n-octanol 794.2
    chloroform 4784.04
    n-propyl acetate 2107.25
    acetic acid 1238.68
    dichloromethane 4557.21
    cyclohexanone 4550.67
    propylene glycol 621.94
    isopropyl acetate 2917.71
    DMAc 1538.08
    2-ethoxyethanol 1437.95
    isopentanol 2569.8
    n-heptane 439.22
    ethyl formate 2451.49
    1,2-dichloroethane 3470.47
    n-hexanol 2623.71
    2-methoxyethanol 3291.9
    isobutyl acetate 1133.04
    tetrachloromethane 1263.18
    n-pentyl acetate 1359.7
    transcutol 5999.67
    n-heptanol 887.65
    ethylbenzene 509.1
    MIBK 1931.29
    2-propoxyethanol 3126.52
    tert-butanol 3677.74
    MTBE 4601.92
    2-butoxyethanol 1407.08
    propionic acid 2109.01
    o-xylene 668.03
    formic acid 311.6
    diethyl ether 5052.9
    m-xylene 861.16
    p-xylene 657.19
    chlorobenzene 1749.63
    dimethyl carbonate 770.84
    n-octane 128.24
    formamide 781.73
    cyclopentanone 6070.52
    2-pentanone 4060.52
    anisole 1101.52
    cyclopentyl methyl ether 3631.42
    gamma-butyrolactone 5849.61
    1-methoxy-2-propanol 2637.7
    pyridine 2897.0
    3-pentanone 2574.66
    furfural 2772.58
    n-dodecane 67.96
    diethylene glycol 1201.03
    diisopropyl ether 1421.54
    tert-amyl alcohol 2425.75
    acetylacetone 2916.33
    n-hexadecane 82.1
    acetophenone 762.39
    methyl propionate 2861.82
    isopentyl acetate 2619.1
    trichloroethylene 4964.06
    n-nonanol 658.5
    cyclohexanol 2173.5
    benzyl alcohol 672.71
    2-ethylhexanol 1387.24
    isooctanol 703.18
    dipropyl ether 2619.98
    1,2-dichlorobenzene 1265.03
    ethyl lactate 537.81
    propylene carbonate 2554.95
    n-methylformamide 2482.2
    2-pentanol 2071.64
    n-pentane 598.48
    1-propoxy-2-propanol 2705.9
    1-methoxy-2-propyl acetate 2582.43
    2-(2-methoxypropoxy) propanol 932.97
    mesitylene 602.43
    ε-caprolactone 3484.05
    p-cymene 468.35
    epichlorohydrin 5131.76
    1,1,1-trichloroethane 3815.92
    2-aminoethanol 1004.98
    morpholine-4-carbaldehyde 2345.02
    sulfolane 4065.18
    2,2,4-trimethylpentane 248.04
    2-methyltetrahydrofuran 5865.2
    n-hexyl acetate 1801.86
    isooctane 255.17
    2-(2-butoxyethoxy)ethanol 1616.66
    sec-butyl acetate 1347.02
    tert-butyl acetate 2743.85
    decalin 256.59
    glycerin 558.88
    diglyme 2907.07
    acrylic acid 1122.2
    isopropyl myristate 582.74
    n-butyric acid 3740.5
    acetyl acetate 1749.0
    di(2-ethylhexyl) phthalate 385.57
    ethyl propionate 1793.38
    nitromethane 3084.16
    1,2-diethoxyethane 3096.3
    benzonitrile 1251.36
    trioctyl phosphate 366.92
    1-bromopropane 2548.93
    gamma-valerolactone 5208.95
    n-decanol 466.9
    triethyl phosphate 522.14
    4-methyl-2-pentanol 1117.78
    propionitrile 3616.63
    vinylene carbonate 1977.66
    1,1,2-trichlorotrifluoroethane 1738.61
    DMS 1022.93
    cumene 354.65
    2-octanol 543.13
    2-hexanone 1849.47
    octyl acetate 693.93
    limonene 914.1
    1,2-dimethoxyethane 2715.71
    ethyl orthosilicate 570.48
    tributyl phosphate 511.48
    diacetone alcohol 1947.67
    N,N-dimethylaniline 579.15
    acrylonitrile 2819.43
    aniline 1674.36
    1,3-propanediol 1695.91
    bromobenzene 1816.03
    dibromomethane 3365.48
    1,1,2,2-tetrachloroethane 3529.42
    2-methyl-cyclohexyl acetate 986.93
    tetrabutyl urea 526.33
    diisobutyl methanol 798.94
    2-phenylethanol 970.68
    styrene 643.01
    dioctyl adipate 676.63
    dimethyl sulfate 957.75
    ethyl butyrate 2209.09
    methyl lactate 767.15
    butyl lactate 924.83
    diethyl carbonate 1090.73
    propanediol butyl ether 1049.15
    triethyl orthoformate 1241.14
    p-tert-butyltoluene 517.65
    methyl 4-tert-butylbenzoate 795.05
    morpholine 5700.96
    tert-butylamine 2915.31
    n-dodecanol 339.47
    dimethoxymethane 2835.02
    ethylene carbonate 2057.72
    cyrene 599.77
    2-ethoxyethyl acetate 1569.2
    2-ethylhexyl acetate 1899.59
    1,2,4-trichlorobenzene 1333.63
    4-methylpyridine 2815.49
    dibutyl ether 1632.61
    2,6-dimethyl-4-heptanol 798.94
    DEF 2637.03
    dimethyl isosorbide 1674.66
    tetrachloroethylene 2346.2
    eugenol 635.27
    triacetin 1021.63
    span 80 886.93
    1,4-butanediol 407.07
    1,1-dichloroethane 4000.28
    2-methyl-1-pentanol 981.11
    methyl formate 1681.58
    2-methyl-1-butanol 2090.52
    n-decane 150.66
    butyronitrile 4127.53
    3,7-dimethyl-1-octanol 896.81
    1-chlorooctane 635.64
    1-chlorotetradecane 194.68
    n-nonane 167.63
    undecane 96.56
    tert-butylcyclohexane 262.78
    cyclooctane 295.67
    cyclopentanol 2480.49
    tetrahydropyran 6768.53
    tert-amyl methyl ether 2095.61
    2,5,8-trioxanonane 1459.8
    1-hexene 1319.15
    2-isopropoxyethanol 1030.89
    2,2,2-trifluoroethanol 426.44
    methyl butyrate 2296.57

    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