2-Methyl-4-phenyl-2-butanol

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  • Identifiers

    CAS number
    103-05-9

    Molecular formula
    C11H16O

    SMILES
    CC(C)(CCC1=CC=CC=C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 95.55%
    Green 85.07%
    Fresh 71.36%
    Rose 69.58%
    Sweet 68.47%
    Herbal 63.5%
    Lily 59.74%
    Muguet 47.03%
    Hyacinth 46.97%
    Clean 40.74%

     

    Flavor
    Floral 80.79%
    Green 71.29%
    Rose 59.75%
    Bitter 52.68%
    Oily 42.6%
    Sweet 40.07%
    Clean 36.02%
    Lily 34.27%
    Citrus 32.23%
    Waxy 30.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    9.33 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    240°C

    Melting point expt.

    • 29 - 30 °C

    Flash point

    • 104.37 ˚C est.

    Solubility expt.

    • Soluble in fats; Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Methyl-4-phenyl-2-butanol
    • 103-05-9
    • 2-Methyl-4-phenylbutan-2-ol
    • Benzyl-tert-butanol
    • Dimethylphenylethylcarbinol
    • Benzyl-t-butanol
    • Dimethylphenethylcarbinol
    • 2-Phenethyl-2-propanol
    • Dimethyl phenylethyl carbinol
    • Phenylethyl dimethyl carbinol
    • 1,1-Dimethyl-3-phenylpropanol
    • 1,1-Dimethyl-3-phenyl-1-propanol
    • 2-(2-Phenylethyl)-2-propanol
    • alpha,alpha-Dimethylbenzenepropanol
    • Phenethyl dimethyl carbinol
    • Dimethylphenylethyl carbinol
    • muguet carbinol
    • 1,1-Dimethyl-3-phenylpropyl alcohol
    • FEMA No. 3629
    • 1-Propanol, 1,1-dimethyl-3-phenyl-
    • 2-BUTANOL, 2-METHYL-4-PHENYL-
    • NSC 62145
    • EINECS 203-074-4
    • methyl phenylbutanol
    • alpha,alpha-Dimethyl-gamma-phenylpropyl alcohol
    • Benzenepropanol, alpha,alpha-dimethyl-
    • BRN 2076770
    • 9Y5UX90TZ4
    • 2-methyl-4-phenyl-butan-2-ol
    • DTXSID3021851
    • AI3-24192
    • Benzenepropanol, .alpha.,.alpha.-dimethyl-
    • MFCD00004472
    • NSC-62145
    • .alpha.,.alpha.-Dimethylbenzenepropanol
    • dimethyl phenyl ethyl carbinol
    • DTXCID601851
    • METHYL-4-PHENYL-2-BUTANOL, 2-
    • 2-METHYL-4-PHENYL-2-BUTANOL [FHFI]
    • UNII-9Y5UX90TZ4
    • a,a-Dimethylbenzenepropanol
    • 2-Phenylethyldimethylcarbinol
    • imethyl phenyl ethyl carbinol
    • SCHEMBL272368
    • 1-Phenyl-3-methylbutan-3-ol
    • 1,1,Dimethyl-3-phenylpropanol
    • CHEMBL3182328
    • Dimethyl-beta-phenylethylcarbinol
    • FEMA 3629
    • YXVSKJDFNJFXAJ-UHFFFAOYSA-
    • a,a-Dimethylbenzenepropanol, 9CI
    • CHEBI:195767
    • 1-Propanol,1-dimethyl-3-phenyl-
    • METHYL PHENYLBUTANOL [INCI]
    • alpha,alpha-Dimethyl-Benzenepropanol
    • NSC62145
    • Tox21_302631
    • BBL018826
    • STL195387
    • 1, 1-Dimethyl-3-phenyl-1-propanol
    • 3-METHYL-1-PHENYL-3-BUTANOL
    • AKOS009157138
    • alpha , alpha -Dimethylbenzenepropanol
    • WLN: QX1 & 1 & 2R
    • alpha,alpha-Dimethylbenzenepropanol, 97%
    • NCGC00256823-01
    • AS-59069
    • CAS-103-05-9
    • SY051604
    • alpha,alpha-dimethyl-alpha,alpha-dimethyl-
    • 1-Propanol, 1,1-dimethyl-3-phenyl-(8CI)
    • CS-0154610
    • M0398
    • NS00012326
    • 1-Propanol, 1,1-dimethyl-3-phenyl- (8CI)
    • EN300-66318
    • E77166
    • .alpha.,.alpha.-Dimethyl-.delta.-phenylpropyl alcohol
    • .alpha.,.alpha.-Dimethyl-.gamma.-phenylpropyl alcohol
    • Q27273379
    • Z513713254
    • 203-074-4
    • InChI=1/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3

  • Applications

    2-Methyl-4-phenyl-2-butanol, CAS 103-05-9, is primarily used as an intermediate in the synthesis of fragrance compounds and as a precursor for perfume ingredients. It can function as a solvent or processing intermediate in cosmetics/personal care, household products, and coatings/inks formulations. In polymer and plastics chemistry, it may serve as an intermediate for further chemical transformations. Use is formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 730.7
    methanol 628.67
    isopropanol 582.54
    water 3.38
    ethyl acetate 405.41
    n-propanol 571.27
    acetone 478.34
    n-butanol 504.3
    acetonitrile 324.74
    DMF 447.3
    toluene 119.53
    isobutanol 348.08
    1,4-dioxane 697.58
    methyl acetate 430.55
    THF 719.91
    2-butanone 410.73
    n-pentanol 358.79
    sec-butanol 429.59
    n-hexane 114.46
    ethylene glycol 230.37
    NMP 227.08
    cyclohexane 78.12
    DMSO 379.41
    n-butyl acetate 328.18
    n-octanol 237.24
    chloroform 630.65
    n-propyl acetate 230.03
    acetic acid 328.05
    dichloromethane 345.06
    cyclohexanone 344.65
    propylene glycol 476.38
    isopropyl acetate 256.28
    DMAc 478.5
    2-ethoxyethanol 512.64
    isopentanol 365.36
    n-heptane 100.3
    ethyl formate 198.91
    1,2-dichloroethane 213.86
    n-hexanol 607.76
    2-methoxyethanol 717.03
    isobutyl acetate 183.36
    tetrachloromethane 99.38
    n-pentyl acetate 142.17
    transcutol 1298.71
    n-heptanol 231.28
    ethylbenzene 93.82
    MIBK 221.23
    2-propoxyethanol 813.09
    tert-butanol 649.76
    MTBE 476.89
    2-butoxyethanol 368.79
    propionic acid 382.5
    o-xylene 95.77
    formic acid 119.25
    diethyl ether 445.5
    m-xylene 105.31
    p-xylene 110.91
    chlorobenzene 136.26
    dimethyl carbonate 135.44
    n-octane 34.22
    formamide 148.75
    cyclopentanone 385.17
    2-pentanone 336.76
    anisole 231.61
    cyclopentyl methyl ether 316.66
    gamma-butyrolactone 339.81
    1-methoxy-2-propanol 630.14
    pyridine 301.08
    3-pentanone 266.85
    furfural 307.88
    n-dodecane 26.8
    diethylene glycol 573.7
    diisopropyl ether 152.6
    tert-amyl alcohol 448.51
    acetylacetone 293.11
    n-hexadecane 28.93
    acetophenone 173.22
    methyl propionate 316.97
    isopentyl acetate 274.14
    trichloroethylene 409.83
    n-nonanol 203.08
    cyclohexanol 272.69
    benzyl alcohol 181.03
    2-ethylhexanol 306.18
    isooctanol 170.8
    dipropyl ether 395.04
    1,2-dichlorobenzene 123.56
    ethyl lactate 170.85
    propylene carbonate 221.77
    n-methylformamide 239.81
    2-pentanol 333.21
    n-pentane 74.0
    1-propoxy-2-propanol 585.76
    1-methoxy-2-propyl acetate 364.44
    2-(2-methoxypropoxy) propanol 326.55
    mesitylene 72.97
    ε-caprolactone 291.54
    p-cymene 82.88
    epichlorohydrin 381.85
    1,1,1-trichloroethane 278.86
    2-aminoethanol 432.54
    morpholine-4-carbaldehyde 457.65
    sulfolane 311.79
    2,2,4-trimethylpentane 39.84
    2-methyltetrahydrofuran 430.29
    n-hexyl acetate 253.74
    isooctane 36.62
    2-(2-butoxyethoxy)ethanol 488.68
    sec-butyl acetate 174.11
    tert-butyl acetate 264.94
    decalin 49.8
    glycerin 456.1
    diglyme 701.65
    acrylic acid 292.57
    isopropyl myristate 121.28
    n-butyric acid 432.33
    acetyl acetate 201.87
    di(2-ethylhexyl) phthalate 113.93
    ethyl propionate 214.74
    nitromethane 384.09
    1,2-diethoxyethane 389.9
    benzonitrile 166.83
    trioctyl phosphate 88.94
    1-bromopropane 203.64
    gamma-valerolactone 468.44
    n-decanol 155.67
    triethyl phosphate 111.75
    4-methyl-2-pentanol 218.4
    propionitrile 337.92
    vinylene carbonate 207.75
    1,1,2-trichlorotrifluoroethane 386.57
    DMS 183.62
    cumene 79.9
    2-octanol 133.82
    2-hexanone 260.03
    octyl acetate 153.3
    limonene 128.91
    1,2-dimethoxyethane 619.97
    ethyl orthosilicate 121.08
    tributyl phosphate 109.0
    diacetone alcohol 337.75
    N,N-dimethylaniline 165.43
    acrylonitrile 305.82
    aniline 196.14
    1,3-propanediol 430.14
    bromobenzene 124.36
    dibromomethane 251.16
    1,1,2,2-tetrachloroethane 412.81
    2-methyl-cyclohexyl acetate 187.8
    tetrabutyl urea 136.14
    diisobutyl methanol 163.18
    2-phenylethanol 222.69
    styrene 108.97
    dioctyl adipate 152.35
    dimethyl sulfate 163.12
    ethyl butyrate 233.82
    methyl lactate 225.85
    butyl lactate 157.96
    diethyl carbonate 152.91
    propanediol butyl ether 361.71
    triethyl orthoformate 192.64
    p-tert-butyltoluene 87.82
    methyl 4-tert-butylbenzoate 189.3
    morpholine 748.04
    tert-butylamine 428.96
    n-dodecanol 122.91
    dimethoxymethane 373.76
    ethylene carbonate 191.52
    cyrene 214.58
    2-ethoxyethyl acetate 213.29
    2-ethylhexyl acetate 213.53
    1,2,4-trichlorobenzene 151.61
    4-methylpyridine 262.24
    dibutyl ether 251.43
    2,6-dimethyl-4-heptanol 163.18
    DEF 291.52
    dimethyl isosorbide 372.34
    tetrachloroethylene 263.37
    eugenol 196.4
    triacetin 251.89
    span 80 307.2
    1,4-butanediol 224.83
    1,1-dichloroethane 288.27
    2-methyl-1-pentanol 272.13
    methyl formate 178.62
    2-methyl-1-butanol 317.87
    n-decane 46.29
    butyronitrile 327.09
    3,7-dimethyl-1-octanol 216.57
    1-chlorooctane 126.89
    1-chlorotetradecane 54.16
    n-nonane 47.92
    undecane 33.6
    tert-butylcyclohexane 58.87
    cyclooctane 35.6
    cyclopentanol 253.82
    tetrahydropyran 562.49
    tert-amyl methyl ether 320.28
    2,5,8-trioxanonane 475.82
    1-hexene 283.0
    2-isopropoxyethanol 365.84
    2,2,2-trifluoroethanol 108.22
    methyl butyrate 247.04

    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