1-(4-Isopropylphenyl)butan-1-ol

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  • Identifiers

    CAS number
    100532-13-6

    Molecular formula
    C13H20O

    SMILES
    CCCC(C1=CC=C(C=C1)C(C)C)O

  • Odor profile

    Fragrance
    Herbal 60.21%
    Floral 54.87%
    Green 45.34%
    Sweet 44.01%
    Spicy 43.16%
    Balsamic 36.23%
    Earthy 35.46%
    Woody 31.8%
    Mint 27.83%
    Leathery 26.7%

     

    Flavor
    Herbal 54.66%
    Green 49.98%
    Spicy 49.89%
    Floral 46.52%
    Fresh 40.56%
    Woody 36.14%
    Sweet 35.92%
    Herb 33.53%
    Musty 30.63%
    Earthy 29.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.94 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    275°C

    Flash point

    • 124.52 ˚C est.

  • Synonyms

    • 1-(4-Isopropylphenyl)butan-1-ol
    • 1-(4-iso-Propylphenyl)-1-butanol
    • 100532-13-6
    • starbld0046993
    • SCHEMBL6055300
    • 1-(4-propan-2-ylphenyl)butan-1-ol

  • Applications

    1-(4-Isopropylphenyl)butan-1-ol (CAS 100532-13-6) is primarily used as a fragrance ingredient and as a chemical intermediate in the synthesis of aroma compounds for perfumery and related personal care formulations; it may also be employed as a fragrance additive in household products such as detergents and cleaners; in industrial manufacturing it acts as a building block for ester formation and other aroma-related compounds; and it can be used in coatings and inks formulations as a subtle odorant component, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5613.97
    methanol 5189.54
    isopropanol 4276.56
    water 0.18
    ethyl acetate 8487.22
    n-propanol 5705.55
    acetone 9466.66
    n-butanol 4808.43
    acetonitrile 6501.28
    DMF 7003.36
    toluene 1849.41
    isobutanol 3813.52
    1,4-dioxane 7824.46
    methyl acetate 5898.21
    THF 7373.41
    2-butanone 7285.47
    n-pentanol 2781.21
    sec-butanol 3613.91
    n-hexane 1682.02
    ethylene glycol 271.8
    NMP 2977.29
    cyclohexane 1255.96
    DMSO 4660.23
    n-butyl acetate 5894.05
    n-octanol 805.59
    chloroform 6601.22
    n-propyl acetate 3846.53
    acetic acid 1889.0
    dichloromethane 7167.6
    cyclohexanone 6313.86
    propylene glycol 513.76
    isopropyl acetate 4117.17
    DMAc 3257.59
    2-ethoxyethanol 2966.5
    isopentanol 4032.85
    n-heptane 381.91
    ethyl formate 2470.78
    1,2-dichloroethane 7340.49
    n-hexanol 3807.11
    2-methoxyethanol 4963.07
    isobutyl acetate 1926.8
    tetrachloromethane 1147.63
    n-pentyl acetate 1687.5
    transcutol 9733.02
    n-heptanol 961.83
    ethylbenzene 842.77
    MIBK 2612.36
    2-propoxyethanol 4559.48
    tert-butanol 5653.94
    MTBE 9763.54
    2-butoxyethanol 1669.66
    propionic acid 2376.05
    o-xylene 835.84
    formic acid 331.01
    diethyl ether 13064.67
    m-xylene 1054.08
    p-xylene 965.04
    chlorobenzene 2209.45
    dimethyl carbonate 1073.09
    n-octane 132.31
    formamide 975.24
    cyclopentanone 5791.51
    2-pentanone 6787.33
    anisole 1764.03
    cyclopentyl methyl ether 4503.65
    gamma-butyrolactone 5023.8
    1-methoxy-2-propanol 3593.27
    pyridine 4824.95
    3-pentanone 4819.69
    furfural 2601.53
    n-dodecane 63.15
    diethylene glycol 1544.55
    diisopropyl ether 2743.94
    tert-amyl alcohol 4053.08
    acetylacetone 3642.19
    n-hexadecane 77.5
    acetophenone 1155.19
    methyl propionate 5055.88
    isopentyl acetate 4153.09
    trichloroethylene 8438.6
    n-nonanol 686.45
    cyclohexanol 2749.15
    benzyl alcohol 1076.56
    2-ethylhexanol 1843.33
    isooctanol 762.88
    dipropyl ether 4121.98
    1,2-dichlorobenzene 1552.24
    ethyl lactate 653.69
    propylene carbonate 2231.72
    n-methylformamide 3467.63
    2-pentanol 3387.94
    n-pentane 1072.08
    1-propoxy-2-propanol 3482.53
    1-methoxy-2-propyl acetate 3178.87
    2-(2-methoxypropoxy) propanol 1007.18
    mesitylene 612.87
    ε-caprolactone 4286.7
    p-cymene 424.85
    epichlorohydrin 6647.36
    1,1,1-trichloroethane 4934.89
    2-aminoethanol 1134.53
    morpholine-4-carbaldehyde 3657.62
    sulfolane 3979.19
    2,2,4-trimethylpentane 326.53
    2-methyltetrahydrofuran 6698.66
    n-hexyl acetate 2034.11
    isooctane 292.89
    2-(2-butoxyethoxy)ethanol 1863.51
    sec-butyl acetate 2161.79
    tert-butyl acetate 3470.73
    decalin 386.64
    glycerin 530.65
    diglyme 3862.6
    acrylic acid 1190.31
    isopropyl myristate 577.32
    n-butyric acid 4231.29
    acetyl acetate 1962.17
    di(2-ethylhexyl) phthalate 375.42
    ethyl propionate 2912.19
    nitromethane 4576.73
    1,2-diethoxyethane 6312.42
    benzonitrile 1740.9
    trioctyl phosphate 332.72
    1-bromopropane 5015.82
    gamma-valerolactone 5846.88
    n-decanol 488.19
    triethyl phosphate 523.72
    4-methyl-2-pentanol 1456.77
    propionitrile 5313.23
    vinylene carbonate 1851.09
    1,1,2-trichlorotrifluoroethane 2486.87
    DMS 1256.64
    cumene 518.52
    2-octanol 615.91
    2-hexanone 3763.11
    octyl acetate 708.54
    limonene 879.96
    1,2-dimethoxyethane 6185.09
    ethyl orthosilicate 618.65
    tributyl phosphate 500.54
    diacetone alcohol 2413.87
    N,N-dimethylaniline 922.01
    acrylonitrile 4282.8
    aniline 2253.1
    1,3-propanediol 1987.83
    bromobenzene 2403.35
    dibromomethane 5275.8
    1,1,2,2-tetrachloroethane 6352.73
    2-methyl-cyclohexyl acetate 1142.64
    tetrabutyl urea 554.92
    diisobutyl methanol 800.15
    2-phenylethanol 1364.74
    styrene 1216.64
    dioctyl adipate 659.17
    dimethyl sulfate 1189.31
    ethyl butyrate 2750.27
    methyl lactate 825.36
    butyl lactate 965.76
    diethyl carbonate 1236.13
    propanediol butyl ether 1109.1
    triethyl orthoformate 1424.71
    p-tert-butyltoluene 432.07
    methyl 4-tert-butylbenzoate 714.9
    morpholine 9594.41
    tert-butylamine 4568.18
    n-dodecanol 351.46
    dimethoxymethane 5337.78
    ethylene carbonate 1952.01
    cyrene 715.39
    2-ethoxyethyl acetate 2227.52
    2-ethylhexyl acetate 3019.65
    1,2,4-trichlorobenzene 1604.62
    4-methylpyridine 5033.95
    dibutyl ether 2495.97
    2,6-dimethyl-4-heptanol 800.15
    DEF 6725.43
    dimethyl isosorbide 1647.26
    tetrachloroethylene 3910.34
    eugenol 714.98
    triacetin 1004.87
    span 80 910.4
    1,4-butanediol 629.46
    1,1-dichloroethane 7229.09
    2-methyl-1-pentanol 2322.12
    methyl formate 1910.06
    2-methyl-1-butanol 3565.99
    n-decane 140.27
    butyronitrile 5375.6
    3,7-dimethyl-1-octanol 973.38
    1-chlorooctane 709.85
    1-chlorotetradecane 209.21
    n-nonane 158.22
    undecane 89.6
    tert-butylcyclohexane 404.46
    cyclooctane 334.83
    cyclopentanol 2262.32
    tetrahydropyran 10218.72
    tert-amyl methyl ether 4457.33
    2,5,8-trioxanonane 1729.79
    1-hexene 4368.86
    2-isopropoxyethanol 2054.46
    2,2,2-trifluoroethanol 438.15
    methyl butyrate 3938.78

    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