3-Methyl-1-phenylbutan-1-OL

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  • Identifiers

    CAS number
    1565-86-2

    Molecular formula
    C11H16O

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

  • Odor profile

    Fragrance
    Sweet 63.22%
    Floral 58.32%
    Herbal 54.11%
    Fruity 51.8%
    Green 50.21%
    Balsamic 37.58%
    Mint 32.63%
    Earthy 31.11%
    Rose 30.94%
    Almond 28.45%

     

    Flavor
    Sweet 56.55%
    Green 50.87%
    Floral 45.79%
    Fresh 36.77%
    Mild 35.52%
    Herbal 35.22%
    Tropical 27.02%
    Spicy 26.75%
    Musty 26.3%
    Earthy 25.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.17 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    241°C

    Flash point

    • 103.56 ˚C est.

  • Synonyms

    • 3-METHYL-1-PHENYLBUTAN-1-OL
    • 1565-86-2
    • Benzenemethanol, alpha-(2-methylpropyl)-
    • 3-methyl-1-phenyl-butan-1-ol
    • MFCD08442704
    • starbld0033633
    • SCHEMBL477671
    • KWXSTAUVUZAMGW-UHFFFAOYSA-N
    • DTXSID101300319
    • AKOS000125706
    • I+/--(2-Methylpropyl)benzenemethanol
    • NS-01308

  • Applications

    3-Methyl-1-phenylbutan-1-ol (CAS 1565-86-2) is an aromatic secondary alcohol used as a fragrance-related intermediate and building block in industry. In the fragrance and flavor sectors, it is often evaluated as a precursor to more complex aromatic compounds or as an odorant component for perfumes and personal care products. In cosmetics and personal care, it may be used as a fragrance ingredient or as an intermediary to prepare additional aroma compounds for shampoos, body wash, and fragrances. In industrial manufacturing, it serves as a building block for the synthesis of fine chemicals or other functional compounds. In household and cleaning product applications, it can function as a fragrance component or as a mild solvent in formulations. Additionally, it may be considered as a potential intermediate for pharmaceutical synthesis in exploratory development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1484.14
    methanol 1050.63
    isopropanol 1605.85
    water 0.49
    ethyl acetate 664.36
    n-propanol 1207.71
    acetone 1320.79
    n-butanol 1060.93
    acetonitrile 1151.45
    DMF 850.93
    toluene 182.21
    isobutanol 899.9
    1,4-dioxane 1429.27
    methyl acetate 602.41
    THF 1832.15
    2-butanone 780.85
    n-pentanol 652.92
    sec-butanol 892.14
    n-hexane 276.69
    ethylene glycol 128.37
    NMP 528.05
    cyclohexane 271.78
    DMSO 975.09
    n-butyl acetate 868.83
    n-octanol 360.84
    chloroform 1494.95
    n-propyl acetate 466.65
    acetic acid 716.84
    dichloromethane 1004.97
    cyclohexanone 1052.57
    propylene glycol 278.7
    isopropyl acetate 382.32
    DMAc 399.47
    2-ethoxyethanol 461.0
    isopentanol 754.86
    n-heptane 192.73
    ethyl formate 467.43
    1,2-dichloroethane 745.98
    n-hexanol 1192.1
    2-methoxyethanol 827.78
    isobutyl acetate 321.62
    tetrachloromethane 181.31
    n-pentyl acetate 270.72
    transcutol 1331.4
    n-heptanol 384.53
    ethylbenzene 145.93
    MIBK 395.15
    2-propoxyethanol 938.7
    tert-butanol 1408.11
    MTBE 937.07
    2-butoxyethanol 452.59
    propionic acid 586.38
    o-xylene 122.55
    formic acid 114.64
    diethyl ether 935.43
    m-xylene 147.74
    p-xylene 187.82
    chlorobenzene 318.94
    dimethyl carbonate 142.03
    n-octane 61.91
    formamide 169.93
    cyclopentanone 1088.31
    2-pentanone 705.43
    anisole 288.5
    cyclopentyl methyl ether 673.51
    gamma-butyrolactone 1017.27
    1-methoxy-2-propanol 716.05
    pyridine 688.44
    3-pentanone 411.25
    furfural 603.41
    n-dodecane 42.66
    diethylene glycol 456.1
    diisopropyl ether 270.09
    tert-amyl alcohol 721.39
    acetylacetone 455.43
    n-hexadecane 47.27
    acetophenone 235.09
    methyl propionate 418.32
    isopentyl acetate 665.19
    trichloroethylene 1136.98
    n-nonanol 290.33
    cyclohexanol 664.38
    benzyl alcohol 227.79
    2-ethylhexanol 544.29
    isooctanol 301.43
    dipropyl ether 760.04
    1,2-dichlorobenzene 259.91
    ethyl lactate 177.06
    propylene carbonate 586.06
    n-methylformamide 443.78
    2-pentanol 676.89
    n-pentane 195.33
    1-propoxy-2-propanol 782.59
    1-methoxy-2-propyl acetate 452.39
    2-(2-methoxypropoxy) propanol 312.08
    mesitylene 111.78
    ε-caprolactone 699.78
    p-cymene 128.22
    epichlorohydrin 963.06
    1,1,1-trichloroethane 622.74
    2-aminoethanol 351.4
    morpholine-4-carbaldehyde 582.3
    sulfolane 869.05
    2,2,4-trimethylpentane 67.52
    2-methyltetrahydrofuran 1138.9
    n-hexyl acetate 422.83
    isooctane 75.12
    2-(2-butoxyethoxy)ethanol 498.07
    sec-butyl acetate 267.11
    tert-butyl acetate 385.26
    decalin 96.48
    glycerin 279.81
    diglyme 845.71
    acrylic acid 366.27
    isopropyl myristate 174.31
    n-butyric acid 954.64
    acetyl acetate 268.34
    di(2-ethylhexyl) phthalate 136.18
    ethyl propionate 313.26
    nitromethane 841.59
    1,2-diethoxyethane 601.4
    benzonitrile 356.91
    trioctyl phosphate 125.41
    1-bromopropane 592.74
    gamma-valerolactone 1053.75
    n-decanol 214.4
    triethyl phosphate 139.54
    4-methyl-2-pentanol 343.3
    propionitrile 830.02
    vinylene carbonate 425.74
    1,1,2-trichlorotrifluoroethane 542.72
    DMS 203.18
    cumene 119.21
    2-octanol 238.96
    2-hexanone 559.01
    octyl acetate 217.23
    limonene 231.09
    1,2-dimethoxyethane 936.95
    ethyl orthosilicate 148.69
    tributyl phosphate 146.66
    diacetone alcohol 439.05
    N,N-dimethylaniline 185.73
    acrylonitrile 663.02
    aniline 283.05
    1,3-propanediol 557.77
    bromobenzene 300.11
    dibromomethane 796.04
    1,1,2,2-tetrachloroethane 1019.8
    2-methyl-cyclohexyl acetate 303.86
    tetrabutyl urea 185.47
    diisobutyl methanol 272.78
    2-phenylethanol 326.42
    styrene 172.34
    dioctyl adipate 211.38
    dimethyl sulfate 178.41
    ethyl butyrate 462.34
    methyl lactate 194.38
    butyl lactate 235.04
    diethyl carbonate 257.62
    propanediol butyl ether 397.36
    triethyl orthoformate 286.71
    p-tert-butyltoluene 130.23
    methyl 4-tert-butylbenzoate 232.8
    morpholine 1539.03
    tert-butylamine 993.93
    n-dodecanol 167.84
    dimethoxymethane 560.64
    ethylene carbonate 423.89
    cyrene 240.3
    2-ethoxyethyl acetate 297.82
    2-ethylhexyl acetate 463.02
    1,2,4-trichlorobenzene 279.35
    4-methylpyridine 558.97
    dibutyl ether 443.34
    2,6-dimethyl-4-heptanol 272.78
    DEF 498.52
    dimethyl isosorbide 456.7
    tetrachloroethylene 603.65
    eugenol 229.71
    triacetin 259.87
    span 80 336.18
    1,4-butanediol 213.1
    1,1-dichloroethane 922.83
    2-methyl-1-pentanol 446.63
    methyl formate 334.33
    2-methyl-1-butanol 615.69
    n-decane 76.97
    butyronitrile 1065.84
    3,7-dimethyl-1-octanol 318.25
    1-chlorooctane 241.38
    1-chlorotetradecane 91.25
    n-nonane 86.22
    undecane 55.57
    tert-butylcyclohexane 101.07
    cyclooctane 82.09
    cyclopentanol 713.35
    tetrahydropyran 1594.35
    tert-amyl methyl ether 442.16
    2,5,8-trioxanonane 499.73
    1-hexene 696.83
    2-isopropoxyethanol 354.31
    2,2,2-trifluoroethanol 149.19
    methyl butyrate 520.89

    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