2-Methyl-1-phenylbutan-2-ol

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  • Identifiers

    CAS number
    772-46-3

    Molecular formula
    C11H16O

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

  • Odor profile

    Fragrance
    Floral 94.24%
    Rose 68.42%
    Sweet 66.49%
    Fresh 53.15%
    Fruity 50.64%
    Green 50.63%
    Lily 48.91%
    Honey 36.63%
    Hyacinth 36.43%
    Muguet 33.71%

     

    Flavor
    Floral 82.48%
    Green 78.14%
    Rose 52.51%
    Sweet 48.62%
    Bitter 41.98%
    Oily 39.04%
    Earthy 38.09%
    Waxy 32.1%
    Hyacinth 31.93%
    Honey 31.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.13 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    229°C

    Flash point

    • 102.67 ˚C est.

  • Synonyms

    • 2-methyl-1-phenyl-2-butanol
    • 772-46-3
    • 2-Methyl-1-phenylbutan-2-ol
    • 1-Phenyl-2-methyl-butanol-2
    • 2-Butanol, 2-methyl-1-phenyl-
    • EINECS 212-249-4
    • NSC 404644
    • alpha-Ethyl-alpha-methylphenethyl alcohol
    • Benzeneethanol, alpha-ethyl-alpha-methyl-
    • AI3-20604
    • Phenethyl alcohol, alpha-ethyl-alpha-methyl-
    • MFCD01708473
    • NSC404644
    • SCHEMBL515470
    • Benzeneethanol,a-ethyl-a-methyl-
    • FTZBYXCNXOPJEL-UHFFFAOYSA-N
    • DTXSID501032956
    • 1-PHENYL-2-METHYL-2-BUTANOL
    • AKOS009997271
    • NSC-404644
    • BS-22929
    • CS-0455708
    • M2010
    • NS00041774
    • D91562

  • Applications

    2-Methyl-1-phenylbutan-2-ol (CAS 772-46-3) is primarily used as an organic synthesis intermediate, serving as a building block for fragrance compounds and aroma ingredients in the perfumery industry; it is also used as an intermediate in cosmetics and personal care formulations; may function as a synthetic intermediate in pharmaceutical development; can act as a precursor for specialty chemicals used in polymers and coatings/inks; and may serve as a fragrance additive in household cleaning products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1028.87
    methanol 839.97
    isopropanol 966.42
    water 2.45
    ethyl acetate 503.07
    n-propanol 836.54
    acetone 639.54
    n-butanol 791.74
    acetonitrile 542.62
    DMF 594.41
    toluene 179.55
    isobutanol 588.53
    1,4-dioxane 1179.46
    methyl acetate 505.64
    THF 1047.57
    2-butanone 527.17
    n-pentanol 524.24
    sec-butanol 638.84
    n-hexane 182.38
    ethylene glycol 240.07
    NMP 289.93
    cyclohexane 165.75
    DMSO 566.19
    n-butyl acetate 522.24
    n-octanol 353.0
    chloroform 990.12
    n-propyl acetate 290.25
    acetic acid 411.04
    dichloromethane 613.65
    cyclohexanone 544.6
    propylene glycol 498.29
    isopropyl acetate 301.88
    DMAc 489.83
    2-ethoxyethanol 530.33
    isopentanol 617.07
    n-heptane 183.79
    ethyl formate 290.46
    1,2-dichloroethane 350.23
    n-hexanol 1027.94
    2-methoxyethanol 817.18
    isobutyl acetate 230.93
    tetrachloromethane 141.1
    n-pentyl acetate 199.54
    transcutol 1326.07
    n-heptanol 356.48
    ethylbenzene 131.0
    MIBK 307.75
    2-propoxyethanol 965.64
    tert-butanol 1087.52
    MTBE 689.74
    2-butoxyethanol 453.53
    propionic acid 443.22
    o-xylene 128.91
    formic acid 122.15
    diethyl ether 655.17
    m-xylene 153.44
    p-xylene 160.78
    chlorobenzene 198.74
    dimethyl carbonate 142.09
    n-octane 58.02
    formamide 150.38
    cyclopentanone 548.38
    2-pentanone 453.29
    anisole 290.52
    cyclopentyl methyl ether 455.91
    gamma-butyrolactone 501.71
    1-methoxy-2-propanol 728.34
    pyridine 407.35
    3-pentanone 327.88
    furfural 402.81
    n-dodecane 46.39
    diethylene glycol 619.86
    diisopropyl ether 214.73
    tert-amyl alcohol 665.18
    acetylacetone 348.72
    n-hexadecane 50.39
    acetophenone 204.39
    methyl propionate 358.44
    isopentyl acetate 422.66
    trichloroethylene 585.91
    n-nonanol 288.83
    cyclohexanol 474.56
    benzyl alcohol 218.56
    2-ethylhexanol 497.42
    isooctanol 248.31
    dipropyl ether 591.78
    1,2-dichlorobenzene 169.89
    ethyl lactate 175.87
    propylene carbonate 310.28
    n-methylformamide 275.95
    2-pentanol 532.9
    n-pentane 132.3
    1-propoxy-2-propanol 740.25
    1-methoxy-2-propyl acetate 420.96
    2-(2-methoxypropoxy) propanol 356.94
    mesitylene 106.4
    ε-caprolactone 405.08
    p-cymene 118.28
    epichlorohydrin 525.82
    1,1,1-trichloroethane 380.43
    2-aminoethanol 501.8
    morpholine-4-carbaldehyde 538.31
    sulfolane 450.76
    2,2,4-trimethylpentane 60.5
    2-methyltetrahydrofuran 667.43
    n-hexyl acetate 353.84
    isooctane 61.91
    2-(2-butoxyethoxy)ethanol 529.56
    sec-butyl acetate 206.23
    tert-butyl acetate 328.7
    decalin 78.41
    glycerin 456.43
    diglyme 767.43
    acrylic acid 297.37
    isopropyl myristate 160.19
    n-butyric acid 611.19
    acetyl acetate 233.3
    di(2-ethylhexyl) phthalate 145.12
    ethyl propionate 246.08
    nitromethane 482.29
    1,2-diethoxyethane 503.84
    benzonitrile 235.31
    trioctyl phosphate 119.46
    1-bromopropane 372.55
    gamma-valerolactone 622.04
    n-decanol 227.04
    triethyl phosphate 130.69
    4-methyl-2-pentanol 311.26
    propionitrile 522.46
    vinylene carbonate 279.24
    1,1,2-trichlorotrifluoroethane 415.81
    DMS 210.5
    cumene 111.76
    2-octanol 208.67
    2-hexanone 361.22
    octyl acetate 195.95
    limonene 204.09
    1,2-dimethoxyethane 787.62
    ethyl orthosilicate 138.48
    tributyl phosphate 136.05
    diacetone alcohol 382.63
    N,N-dimethylaniline 204.71
    acrylonitrile 408.96
    aniline 240.35
    1,3-propanediol 562.49
    bromobenzene 192.37
    dibromomethane 466.04
    1,1,2,2-tetrachloroethane 554.23
    2-methyl-cyclohexyl acetate 242.6
    tetrabutyl urea 173.84
    diisobutyl methanol 235.01
    2-phenylethanol 301.34
    styrene 147.83
    dioctyl adipate 184.44
    dimethyl sulfate 174.4
    ethyl butyrate 324.95
    methyl lactate 217.83
    butyl lactate 195.44
    diethyl carbonate 196.85
    propanediol butyl ether 433.39
    triethyl orthoformate 224.26
    p-tert-butyltoluene 125.36
    methyl 4-tert-butylbenzoate 225.88
    morpholine 1117.26
    tert-butylamine 737.68
    n-dodecanol 187.94
    dimethoxymethane 484.03
    ethylene carbonate 266.19
    cyrene 247.41
    2-ethoxyethyl acetate 257.99
    2-ethylhexyl acetate 321.82
    1,2,4-trichlorobenzene 189.0
    4-methylpyridine 376.88
    dibutyl ether 358.67
    2,6-dimethyl-4-heptanol 235.01
    DEF 372.11
    dimethyl isosorbide 436.62
    tetrachloroethylene 343.37
    eugenol 227.19
    triacetin 275.95
    span 80 362.48
    1,4-butanediol 275.92
    1,1-dichloroethane 484.0
    2-methyl-1-pentanol 390.93
    methyl formate 213.09
    2-methyl-1-butanol 499.19
    n-decane 79.32
    butyronitrile 582.87
    3,7-dimethyl-1-octanol 316.91
    1-chlorooctane 202.39
    1-chlorotetradecane 85.26
    n-nonane 84.28
    undecane 58.83
    tert-butylcyclohexane 87.87
    cyclooctane 63.18
    cyclopentanol 421.7
    tetrahydropyran 969.73
    tert-amyl methyl ether 414.75
    2,5,8-trioxanonane 525.14
    1-hexene 454.87
    2-isopropoxyethanol 398.04
    2,2,2-trifluoroethanol 110.28
    methyl butyrate 316.82

    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