2-Phenylbutan-2-ol

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  • Identifiers

    CAS number
    1565-75-9

    Molecular formula
    C10H14O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 90.87%
    Sweet 77.3%
    Fruity 55.66%
    Rose 52.15%
    Green 48.98%
    Earthy 41.96%
    Fresh 41.26%
    Herbal 40.56%
    Balsamic 38.18%
    Lily 34.37%

     

    Flavor
    Floral 73.26%
    Sweet 64.79%
    Green 50.59%
    Fruity 49.9%
    Rose 42.98%
    Bitter 34.64%
    Earthy 31.74%
    Flower 30.48%
    Balsam 29.87%
    Hyacinth 29.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.85 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    216°C

    Flash point

    • 92.26 ˚C est.

  • Synonyms

    • 2-Phenylbutan-2-ol
    • 1565-75-9
    • 2-Phenyl-2-butanol
    • 2-Phenyl-butanol-2
    • 2-Butanol, 2-phenyl-
    • Benzenemethanol, alpha-ethyl-alpha-methyl-
    • NSC 225251
    • .alpha.-Ethyl-.alpha.-methylbenzyl alcohol
    • DTXSID801030816
    • EINECS 216-364-0
    • alpha-Ethyl-alpha-methylbenzyl alcohol
    • BRN 2042083
    • AI3-24781
    • BENZYL ALCOHOL, alpha-ETHYL-alpha-METHYL-
    • 2-06-00-00488 (Beilstein Handbook Reference)
    • 2-Phenyl-2-butanol, 99%
    • SCHEMBL124188
    • DTXCID501515889
    • NSC225251
    • AKOS009157030
    • NSC-225251
    • AS-80429
    • CS-0252696
    • NS00047235
    • EN300-61289
    • Benzenemethanol, .alpha.-ethyl-.alpha.-methyl-
    • Benzyl alcohol, .alpha.-ethyl-.alpha.-methyl-
    • G77267
    • Z449373348
    • 216-364-0

  • Applications

    2-Phenylbutan-2-ol (CAS 1565-75-9) is used primarily as an intermediate in organic synthesis and serves as a building block for aromatic benzylic alcohols; in perfumery and cosmetics it is commonly evaluated as an aroma intermediate or precursor to fragrance ingredients; in pharmaceuticals it can function as a synthetic intermediate for small-molecule drugs; in polymers/plastics it provides a phenyl-substituted benzylic alcohol motif for specialty polymers; in coatings/inks it is used as a starting material to extend resin formulations; in household products it may appear as a fragrance-related intermediate in formulating consumer products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1372.82
    methanol 1095.43
    isopropanol 1149.67
    water 2.81
    ethyl acetate 694.54
    n-propanol 1181.32
    acetone 802.8
    n-butanol 966.0
    acetonitrile 1136.84
    DMF 884.44
    toluene 338.86
    isobutanol 819.63
    1,4-dioxane 1857.7
    methyl acetate 727.73
    THF 1519.13
    2-butanone 790.31
    n-pentanol 640.85
    sec-butanol 913.79
    n-hexane 315.58
    ethylene glycol 207.31
    NMP 515.96
    cyclohexane 307.73
    DMSO 805.2
    n-butyl acetate 814.31
    n-octanol 500.02
    chloroform 1832.26
    n-propyl acetate 472.0
    acetic acid 378.72
    dichloromethane 1688.9
    cyclohexanone 897.38
    propylene glycol 322.5
    isopropyl acetate 371.29
    DMAc 560.94
    2-ethoxyethanol 582.33
    isopentanol 693.33
    n-heptane 319.41
    ethyl formate 547.17
    1,2-dichloroethane 903.9
    n-hexanol 1148.37
    2-methoxyethanol 804.84
    isobutyl acetate 301.64
    tetrachloromethane 374.28
    n-pentyl acetate 366.47
    transcutol 1129.0
    n-heptanol 473.42
    ethylbenzene 250.41
    MIBK 395.17
    2-propoxyethanol 955.92
    tert-butanol 1199.46
    MTBE 940.19
    2-butoxyethanol 501.76
    propionic acid 519.27
    o-xylene 243.68
    formic acid 115.52
    diethyl ether 1065.47
    m-xylene 248.6
    p-xylene 294.09
    chlorobenzene 372.1
    dimethyl carbonate 188.03
    n-octane 120.92
    formamide 213.24
    cyclopentanone 850.88
    2-pentanone 667.03
    anisole 433.57
    cyclopentyl methyl ether 635.07
    gamma-butyrolactone 814.87
    1-methoxy-2-propanol 659.64
    pyridine 680.39
    3-pentanone 480.58
    furfural 582.64
    n-dodecane 88.84
    diethylene glycol 528.97
    diisopropyl ether 303.44
    tert-amyl alcohol 807.92
    acetylacetone 436.08
    n-hexadecane 96.95
    acetophenone 308.68
    methyl propionate 486.62
    isopentyl acetate 573.23
    trichloroethylene 1122.96
    n-nonanol 392.76
    cyclohexanol 637.14
    benzyl alcohol 297.31
    2-ethylhexanol 602.12
    isooctanol 345.89
    dipropyl ether 830.37
    1,2-dichlorobenzene 323.58
    ethyl lactate 190.96
    propylene carbonate 473.88
    n-methylformamide 484.71
    2-pentanol 649.57
    n-pentane 268.22
    1-propoxy-2-propanol 671.34
    1-methoxy-2-propyl acetate 443.87
    2-(2-methoxypropoxy) propanol 375.04
    mesitylene 175.06
    ε-caprolactone 646.38
    p-cymene 197.55
    epichlorohydrin 969.85
    1,1,1-trichloroethane 797.86
    2-aminoethanol 434.3
    morpholine-4-carbaldehyde 723.39
    sulfolane 747.12
    2,2,4-trimethylpentane 106.54
    2-methyltetrahydrofuran 1056.68
    n-hexyl acetate 532.37
    isooctane 99.84
    2-(2-butoxyethoxy)ethanol 534.43
    sec-butyl acetate 280.11
    tert-butyl acetate 381.04
    decalin 138.2
    glycerin 314.84
    diglyme 872.95
    acrylic acid 312.11
    isopropyl myristate 236.45
    n-butyric acid 672.28
    acetyl acetate 280.55
    di(2-ethylhexyl) phthalate 172.41
    ethyl propionate 378.79
    nitromethane 642.26
    1,2-diethoxyethane 705.8
    benzonitrile 388.61
    trioctyl phosphate 160.77
    1-bromopropane 907.33
    gamma-valerolactone 893.55
    n-decanol 299.24
    triethyl phosphate 182.78
    4-methyl-2-pentanol 336.97
    propionitrile 960.78
    vinylene carbonate 456.55
    1,1,2-trichlorotrifluoroethane 434.08
    DMS 271.35
    cumene 201.31
    2-octanol 330.81
    2-hexanone 556.09
    octyl acetate 281.3
    limonene 325.93
    1,2-dimethoxyethane 1062.05
    ethyl orthosilicate 186.95
    tributyl phosphate 173.79
    diacetone alcohol 392.15
    N,N-dimethylaniline 296.2
    acrylonitrile 733.62
    aniline 366.1
    1,3-propanediol 559.54
    bromobenzene 392.86
    dibromomethane 1284.72
    1,1,2,2-tetrachloroethane 942.69
    2-methyl-cyclohexyl acetate 309.18
    tetrabutyl urea 228.09
    diisobutyl methanol 293.35
    2-phenylethanol 389.95
    styrene 278.37
    dioctyl adipate 242.32
    dimethyl sulfate 250.55
    ethyl butyrate 520.33
    methyl lactate 202.61
    butyl lactate 243.98
    diethyl carbonate 299.83
    propanediol butyl ether 394.63
    triethyl orthoformate 284.68
    p-tert-butyltoluene 202.25
    methyl 4-tert-butylbenzoate 320.87
    morpholine 1597.92
    tert-butylamine 912.22
    n-dodecanol 239.87
    dimethoxymethane 698.32
    ethylene carbonate 429.19
    cyrene 279.35
    2-ethoxyethyl acetate 371.31
    2-ethylhexyl acetate 459.43
    1,2,4-trichlorobenzene 326.56
    4-methylpyridine 636.53
    dibutyl ether 546.06
    2,6-dimethyl-4-heptanol 293.35
    DEF 590.51
    dimethyl isosorbide 481.62
    tetrachloroethylene 615.54
    eugenol 285.38
    triacetin 320.75
    span 80 361.82
    1,4-butanediol 265.86
    1,1-dichloroethane 1095.43
    2-methyl-1-pentanol 482.32
    methyl formate 356.16
    2-methyl-1-butanol 662.32
    n-decane 148.42
    butyronitrile 1058.18
    3,7-dimethyl-1-octanol 374.15
    1-chlorooctane 365.05
    1-chlorotetradecane 149.29
    n-nonane 160.2
    undecane 112.92
    tert-butylcyclohexane 145.84
    cyclooctane 117.65
    cyclopentanol 651.02
    tetrahydropyran 1444.73
    tert-amyl methyl ether 564.79
    2,5,8-trioxanonane 600.4
    1-hexene 709.1
    2-isopropoxyethanol 448.53
    2,2,2-trifluoroethanol 134.31
    methyl butyrate 506.08

    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