4-Methyl-1-phenylpentan-2-ol

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  • Identifiers

    CAS number
    7779-78-4

    Molecular formula
    C12H18O

    SMILES
    CC(C)CC(CC1=CC=CC=C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 77.33%
    Floral 77.11%
    Herbal 54.85%
    Rose 45.97%
    Sweet 42.39%
    Earthy 40.86%
    Leafy 33.58%
    Hyacinth 33.43%
    Lily 30.76%
    Fruity 30.24%

     

    Flavor
    Green 70.25%
    Sweet 54.24%
    Floral 52.74%
    Mild 38.76%
    Fresh 38.12%
    Earthy 34.27%
    Tropical 31.07%
    Bitter 31.01%
    Oily 28.23%
    Herbal 27.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.5 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 115.0 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 4-Methyl-1-phenyl-2-pentanol
    • 7779-78-4
    • 4-Methyl-1-phenylpentan-2-ol
    • Isobutyl benzyl carbinol
    • Benzylisoamyl alcohol
    • Isobutylbenzylcarbinol
    • alpha-Isobutylphenethyl alcohol
    • 2-Methylpropyl benzyl carbinol
    • FEMA No. 2208
    • alpha-(2-Methylpropyl)benzeneethanol
    • Benzeneethanol, .alpha.-(2-methylpropyl)-
    • iso-Butyl benzyl carbinol
    • Phenethyl alcohol, alpha-isobutyl-
    • EINECS 231-939-6
    • 2SBL0E1I0N
    • MFCD00209515
    • BENZENEETHANOL, ALPHA-(2-METHYLPROPYL)-
    • Benzylisobutylcarbinol
    • BRN 3243559
    • DTXSID8047717
    • Phenethyl alcohol, .alpha.-isobutyl-
    • DTXCID1027710
    • FEMA 2208
    • 2-Pentanol, 4-methyl-1-phenyl
    • 4-06-00-03421 (Beilstein Handbook Reference)
    • .ALPHA.-ISOBUTYLPHENETHYL ALCOHOL
    • 2-PENTANOL, 4-METHYL-1-PHENYL-
    • .ALPHA.-ISOBUTYLPHENETHYL ALCOHOL [FHFI]
    • UNII-2SBL0E1I0N
    • benzyl isobutyl carbinol
    • ?-isobutylphenethyl alcohol
    • SCHEMBL105502
    • alpha-Isobutyl-Phenethyl alcohol
    • CHEMBL3187810
    • FEMA-2208
    • CHEBI:197064
    • 4-Methyl-1-phenyl-2-pentanol #
    • Benzeneethanol,a-(2-methylpropyl)-
    • COE 2031
    • COE-2031
    • Tox21_302657
    • alpha-Isobutylphenethyl alcohol, 98%
    • AKOS010016533
    • alpha-(2-Methylpropyl)-Benzeneethanol
    • a-(2-Methylpropyl)benzeneethanol, 9CI
    • NCGC00256788-01
    • BS-17588
    • SY052681
    • CAS-7779-78-4
    • DB-003503
    • CS-0154247
    • M2012
    • NS00012980
    • D91564
    • Q27255540
    • 231-939-6

  • Applications

    α-Isobutylphenethyl alcohol (CAS 7779-78-4) is an aromatic alcohol with a warm woody-amber and subtle white-floral nuance, widely employed as a middle-to-base note fixative in fine fragrances, perfumed soaps, deodorants and scented candles; it is also incorporated as a trace flavor modifier in foods to impart honey-fruity facets to confectionery, beverages and dairy products, acts as a solvent or precursor for the synthesis of fragrant esters, extends the scent life of natural oils in hair- and skin-care cosmetics, stabilizes perfume accords in household detergents, and serves as an intermediate in the manufacture of pharmaceuticals and specialty lubricants due to its good solvent compatibility, moderate volatility and slight antibacterial properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3144.46
    methanol 3198.23
    isopropanol 2358.83
    water 0.62
    ethyl acetate 1261.13
    n-propanol 2101.43
    acetone 2135.89
    n-butanol 1943.49
    acetonitrile 1376.68
    DMF 1248.85
    toluene 303.69
    isobutanol 1394.46
    1,4-dioxane 2696.8
    methyl acetate 859.78
    THF 3055.26
    2-butanone 1051.74
    n-pentanol 1150.87
    sec-butanol 1213.02
    n-hexane 499.6
    ethylene glycol 303.07
    NMP 637.7
    cyclohexane 482.06
    DMSO 1523.95
    n-butyl acetate 1323.0
    n-octanol 398.35
    chloroform 1445.08
    n-propyl acetate 713.01
    acetic acid 1243.23
    dichloromethane 1049.48
    cyclohexanone 1449.45
    propylene glycol 508.56
    isopropyl acetate 708.43
    DMAc 633.95
    2-ethoxyethanol 994.35
    isopentanol 1318.33
    n-heptane 309.68
    ethyl formate 613.65
    1,2-dichloroethane 942.72
    n-hexanol 2062.37
    2-methoxyethanol 1991.22
    isobutyl acetate 471.52
    tetrachloromethane 207.59
    n-pentyl acetate 354.93
    transcutol 2852.0
    n-heptanol 473.05
    ethylbenzene 165.91
    MIBK 619.45
    2-propoxyethanol 2038.64
    tert-butanol 2105.03
    MTBE 1551.15
    2-butoxyethanol 685.97
    propionic acid 836.31
    o-xylene 168.72
    formic acid 277.96
    diethyl ether 2189.88
    m-xylene 211.79
    p-xylene 215.42
    chlorobenzene 372.1
    dimethyl carbonate 208.05
    n-octane 70.37
    formamide 332.78
    cyclopentanone 1273.35
    2-pentanone 1160.64
    anisole 371.66
    cyclopentyl methyl ether 1140.44
    gamma-butyrolactone 1173.42
    1-methoxy-2-propanol 1351.57
    pyridine 936.29
    3-pentanone 635.22
    furfural 741.44
    n-dodecane 44.6
    diethylene glycol 999.96
    diisopropyl ether 529.63
    tert-amyl alcohol 1020.8
    acetylacetone 746.58
    n-hexadecane 50.14
    acetophenone 274.09
    methyl propionate 682.58
    isopentyl acetate 980.19
    trichloroethylene 1228.43
    n-nonanol 330.98
    cyclohexanol 1059.67
    benzyl alcohol 313.92
    2-ethylhexanol 838.39
    isooctanol 342.94
    dipropyl ether 1437.19
    1,2-dichlorobenzene 291.97
    ethyl lactate 234.85
    propylene carbonate 674.97
    n-methylformamide 705.55
    2-pentanol 1100.58
    n-pentane 370.88
    1-propoxy-2-propanol 1417.77
    1-methoxy-2-propyl acetate 821.71
    2-(2-methoxypropoxy) propanol 444.21
    mesitylene 151.38
    ε-caprolactone 985.91
    p-cymene 151.11
    epichlorohydrin 1313.77
    1,1,1-trichloroethane 673.22
    2-aminoethanol 792.99
    morpholine-4-carbaldehyde 989.63
    sulfolane 959.13
    2,2,4-trimethylpentane 96.93
    2-methyltetrahydrofuran 1706.97
    n-hexyl acetate 543.89
    isooctane 105.05
    2-(2-butoxyethoxy)ethanol 811.57
    sec-butyl acetate 418.58
    tert-butyl acetate 709.68
    decalin 123.38
    glycerin 504.0
    diglyme 1390.05
    acrylic acid 488.06
    isopropyl myristate 207.38
    n-butyric acid 1580.97
    acetyl acetate 472.75
    di(2-ethylhexyl) phthalate 173.67
    ethyl propionate 477.71
    nitromethane 1225.39
    1,2-diethoxyethane 1185.96
    benzonitrile 395.14
    trioctyl phosphate 145.25
    1-bromopropane 738.81
    gamma-valerolactone 1496.12
    n-decanol 245.76
    triethyl phosphate 189.35
    4-methyl-2-pentanol 500.34
    propionitrile 966.16
    vinylene carbonate 488.81
    1,1,2-trichlorotrifluoroethane 777.54
    DMS 282.07
    cumene 127.06
    2-octanol 250.49
    2-hexanone 827.56
    octyl acetate 261.01
    limonene 326.08
    1,2-dimethoxyethane 1915.09
    ethyl orthosilicate 214.09
    tributyl phosphate 190.73
    diacetone alcohol 677.32
    N,N-dimethylaniline 225.42
    acrylonitrile 757.2
    aniline 447.29
    1,3-propanediol 1215.8
    bromobenzene 343.03
    dibromomethane 831.43
    1,1,2,2-tetrachloroethane 1141.97
    2-methyl-cyclohexyl acetate 398.36
    tetrabutyl urea 222.57
    diisobutyl methanol 370.19
    2-phenylethanol 492.13
    styrene 203.28
    dioctyl adipate 267.6
    dimethyl sulfate 229.81
    ethyl butyrate 686.1
    methyl lactate 297.98
    butyl lactate 293.53
    diethyl carbonate 341.32
    propanediol butyl ether 547.81
    triethyl orthoformate 446.24
    p-tert-butyltoluene 157.78
    methyl 4-tert-butylbenzoate 259.52
    morpholine 2873.8
    tert-butylamine 1454.31
    n-dodecanol 191.1
    dimethoxymethane 1163.11
    ethylene carbonate 536.06
    cyrene 299.78
    2-ethoxyethyl acetate 466.46
    2-ethylhexyl acetate 678.03
    1,2,4-trichlorobenzene 310.1
    4-methylpyridine 771.0
    dibutyl ether 694.51
    2,6-dimethyl-4-heptanol 370.19
    DEF 873.02
    dimethyl isosorbide 645.89
    tetrachloroethylene 720.78
    eugenol 280.69
    triacetin 348.12
    span 80 467.62
    1,4-butanediol 417.95
    1,1-dichloroethane 972.04
    2-methyl-1-pentanol 722.28
    methyl formate 459.43
    2-methyl-1-butanol 991.72
    n-decane 86.04
    butyronitrile 1316.53
    3,7-dimethyl-1-octanol 374.29
    1-chlorooctane 265.83
    1-chlorotetradecane 94.37
    n-nonane 96.34
    undecane 58.33
    tert-butylcyclohexane 124.37
    cyclooctane 136.12
    cyclopentanol 926.17
    tetrahydropyran 2863.99
    tert-amyl methyl ether 748.93
    2,5,8-trioxanonane 765.64
    1-hexene 1149.74
    2-isopropoxyethanol 679.38
    2,2,2-trifluoroethanol 210.12
    methyl butyrate 694.07

    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