3-Methyl-2-phenylbutane-2-ol

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  • Identifiers

    CAS number
    4383-11-3

    Molecular formula
    C11H16O

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

  • Odor profile

    Fragrance
    Floral 83.96%
    Sweet 66.42%
    Green 53.2%
    Fruity 46.95%
    Rose 44.23%
    Herbal 42.78%
    Woody 40.69%
    Earthy 40.48%
    Fresh 37.99%
    Balsamic 36.97%

     

    Flavor
    Floral 58.58%
    Green 57.36%
    Fruity 52.26%
    Sweet 50.68%
    Tropical 35.26%
    Herbal 32.48%
    Citrus 31.54%
    Musty 28.38%
    Mild 27.3%
    Earthy 26.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.94 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 95.33 ˚C est.

  • Synonyms

    • 2-Phenyl-3-methyl-butan-2-ol
    • 3-methyl-2-phenylbutan-2-ol
    • 4383-11-3
    • 3-Methyl-2-phenylbutane-2-ol
    • 3-methyl-2-phenyl-butan-2-ol
    • NSC-507
    • NSC-25548
    • NSC507
    • 3-Methyl-2-phenyl-2-butanol
    • A9FN77Q37Z
    • SCHEMBL3959121
    • NSC 507
    • 2-Butanol, 3-methyl-2-phenyl-
    • NSC25548
    • NSC 25548
    • AKOS009996378
    • alpha-Isopropyl-alpha-methylbenzyl alcohol
    • Benzyl alcohol, alpha-isopropyl-alpha-methyl-
    • alpha-Methyl-alpha-(1-methylethyl)benzenemethanol
    • .ALPHA.-ISOPROPYL-.ALPHA.-METHYLBENZYL ALCOHOL
    • Benzenemethanol, alpha-methyl-alpha-(1-methylethyl)-

  • Applications

    The compound 3-Methyl-2-phenylbutane-2-ol (CAS 4383-11-3) is primarily utilized as a synthetic intermediate in chemical and pharmaceutical manufacturing, and is commonly evaluated for use in fragrance chemistry as an odorant or fragrance ingredient. It can serve as a processing aid or solvent in coatings, inks, and cleaning formulations, and may be employed as a building block in polymer and plastics synthesis. In cosmetics and personal care, it may appear as a fragrance component or supportive carrier in formulas, subject to formulation limits and local regulations. Additionally, its tertiary benzylic alcohol structure provides a versatile handle for oxidation or dehydration to generate downstream compounds in industrial synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1227.87
    methanol 819.14
    isopropanol 1131.07
    water 2.98
    ethyl acetate 803.55
    n-propanol 1094.09
    acetone 998.79
    n-butanol 915.44
    acetonitrile 1347.62
    DMF 1043.72
    toluene 413.86
    isobutanol 806.36
    1,4-dioxane 1874.0
    methyl acetate 882.75
    THF 1797.17
    2-butanone 1001.74
    n-pentanol 573.32
    sec-butanol 898.85
    n-hexane 303.0
    ethylene glycol 141.58
    NMP 593.0
    cyclohexane 315.31
    DMSO 682.02
    n-butyl acetate 974.22
    n-octanol 511.73
    chloroform 2294.85
    n-propyl acetate 572.27
    acetic acid 376.56
    dichloromethane 2038.17
    cyclohexanone 1111.27
    propylene glycol 256.02
    isopropyl acetate 446.41
    DMAc 699.78
    2-ethoxyethanol 528.81
    isopentanol 674.6
    n-heptane 298.86
    ethyl formate 677.2
    1,2-dichloroethane 1096.1
    n-hexanol 1033.16
    2-methoxyethanol 763.31
    isobutyl acetate 388.07
    tetrachloromethane 508.3
    n-pentyl acetate 450.63
    transcutol 1038.25
    n-heptanol 494.57
    ethylbenzene 329.58
    MIBK 448.07
    2-propoxyethanol 867.18
    tert-butanol 1212.7
    MTBE 1108.64
    2-butoxyethanol 528.62
    propionic acid 509.26
    o-xylene 306.86
    formic acid 109.93
    diethyl ether 1149.77
    m-xylene 298.55
    p-xylene 419.35
    chlorobenzene 491.0
    dimethyl carbonate 231.85
    n-octane 126.36
    formamide 246.4
    cyclopentanone 1123.41
    2-pentanone 789.52
    anisole 543.99
    cyclopentyl methyl ether 678.42
    gamma-butyrolactone 1039.06
    1-methoxy-2-propanol 633.77
    pyridine 901.17
    3-pentanone 586.31
    furfural 784.11
    n-dodecane 87.51
    diethylene glycol 430.68
    diisopropyl ether 338.85
    tert-amyl alcohol 845.12
    acetylacetone 526.95
    n-hexadecane 97.48
    acetophenone 404.69
    methyl propionate 564.29
    isopentyl acetate 720.19
    trichloroethylene 1528.17
    n-nonanol 413.82
    cyclohexanol 620.28
    benzyl alcohol 347.43
    2-ethylhexanol 591.05
    isooctanol 380.49
    dipropyl ether 860.25
    1,2-dichlorobenzene 431.64
    ethyl lactate 211.2
    propylene carbonate 620.33
    n-methylformamide 565.36
    2-pentanol 599.94
    n-pentane 252.87
    1-propoxy-2-propanol 692.6
    1-methoxy-2-propyl acetate 510.35
    2-(2-methoxypropoxy) propanol 379.67
    mesitylene 215.57
    ε-caprolactone 771.73
    p-cymene 254.17
    epichlorohydrin 1194.18
    1,1,1-trichloroethane 1119.19
    2-aminoethanol 345.6
    morpholine-4-carbaldehyde 818.76
    sulfolane 863.39
    2,2,4-trimethylpentane 111.11
    2-methyltetrahydrofuran 1185.03
    n-hexyl acetate 637.61
    isooctane 102.48
    2-(2-butoxyethoxy)ethanol 513.09
    sec-butyl acetate 361.58
    tert-butyl acetate 471.7
    decalin 152.41
    glycerin 242.03
    diglyme 916.75
    acrylic acid 319.25
    isopropyl myristate 266.01
    n-butyric acid 712.81
    acetyl acetate 352.36
    di(2-ethylhexyl) phthalate 196.44
    ethyl propionate 460.01
    nitromethane 773.68
    1,2-diethoxyethane 760.55
    benzonitrile 509.49
    trioctyl phosphate 174.8
    1-bromopropane 1019.79
    gamma-valerolactone 1155.36
    n-decanol 311.23
    triethyl phosphate 222.06
    4-methyl-2-pentanol 338.94
    propionitrile 1089.67
    vinylene carbonate 592.47
    1,1,2-trichlorotrifluoroethane 505.4
    DMS 324.94
    cumene 263.28
    2-octanol 358.88
    2-hexanone 645.29
    octyl acetate 324.91
    limonene 372.76
    1,2-dimethoxyethane 1082.77
    ethyl orthosilicate 227.21
    tributyl phosphate 194.32
    diacetone alcohol 435.13
    N,N-dimethylaniline 364.31
    acrylonitrile 892.15
    aniline 417.27
    1,3-propanediol 501.06
    bromobenzene 530.37
    dibromomethane 1533.73
    1,1,2,2-tetrachloroethane 1240.73
    2-methyl-cyclohexyl acetate 390.82
    tetrabutyl urea 248.13
    diisobutyl methanol 316.8
    2-phenylethanol 427.17
    styrene 377.57
    dioctyl adipate 284.99
    dimethyl sulfate 287.97
    ethyl butyrate 636.95
    methyl lactate 221.81
    butyl lactate 283.08
    diethyl carbonate 376.52
    propanediol butyl ether 386.28
    triethyl orthoformate 353.98
    p-tert-butyltoluene 260.39
    methyl 4-tert-butylbenzoate 382.23
    morpholine 1621.41
    tert-butylamine 929.09
    n-dodecanol 244.23
    dimethoxymethane 709.5
    ethylene carbonate 539.34
    cyrene 317.24
    2-ethoxyethyl acetate 455.55
    2-ethylhexyl acetate 574.09
    1,2,4-trichlorobenzene 438.59
    4-methylpyridine 821.17
    dibutyl ether 594.08
    2,6-dimethyl-4-heptanol 316.8
    DEF 670.69
    dimethyl isosorbide 551.98
    tetrachloroethylene 813.2
    eugenol 323.32
    triacetin 364.15
    span 80 359.94
    1,4-butanediol 219.01
    1,1-dichloroethane 1377.25
    2-methyl-1-pentanol 453.91
    methyl formate 445.95
    2-methyl-1-butanol 634.95
    n-decane 155.17
    butyronitrile 1177.47
    3,7-dimethyl-1-octanol 393.74
    1-chlorooctane 401.22
    1-chlorotetradecane 157.58
    n-nonane 163.33
    undecane 113.29
    tert-butylcyclohexane 164.78
    cyclooctane 115.74
    cyclopentanol 679.04
    tetrahydropyran 1561.9
    tert-amyl methyl ether 626.76
    2,5,8-trioxanonane 588.38
    1-hexene 707.1
    2-isopropoxyethanol 428.38
    2,2,2-trifluoroethanol 166.61
    methyl butyrate 612.14

    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