1-Hydroxy-1-phenylbutan-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    16183-45-2

    Molecular formula
    C10H12O2

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

  • Odor profile

    Fragrance
    Sweet 79.58%
    Creamy 55.04%
    Vanilla 52.94%
    Floral 52.32%
    Caramellic 51.45%
    Buttery 41.98%
    Almond 37.6%
    Nutty 34.7%
    Powdery 34.27%
    Fruity 33.81%

     

    Flavor
    Sweet 66.67%
    Fruity 49.91%
    Creamy 33.44%
    Musty 27.19%
    Caramel 23.92%
    Grape 23.74%
    Balsam 23.26%
    Mild 22.95%
    Powdery 22.57%
    Odorless 22.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.47 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    261°C

    Flash point

    • 120.57 ˚C est.

  • Synonyms

    • 1-hydroxy-1-phenylbutan-2-one
    • PhenylbutOlon
    • 16183-45-2
    • 2-Butanone, 1-hydroxy-1-phenyl-
    • 1-hydroxy-1-phenyl-2-butanone
    • SCHEMBL156143
    • DTXSID70525497

  • Applications

    1-Hydroxy-1-phenylbutan-2-one (CAS 16183-45-2) is commonly used as a fragrance intermediate and odorant in perfumery and cosmetics, contributing to distinctive aroma notes; it is also evaluated as a synthetic building block for chiral intermediates in pharmaceutical development and related agrochemical research. In industrial manufacturing, it serves as a versatile specialty chemical intermediate for further synthesis and formulation development, and may appear in household products as a fragrance component. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 291.22
    methanol 490.67
    isopropanol 208.02
    water 8.76
    ethyl acetate 165.1
    n-propanol 198.12
    acetone 295.14
    n-butanol 153.12
    acetonitrile 303.24
    DMF 650.82
    toluene 53.85
    isobutanol 142.53
    1,4-dioxane 443.67
    methyl acetate 218.36
    THF 288.37
    2-butanone 199.69
    n-pentanol 138.42
    sec-butanol 158.05
    n-hexane 11.88
    ethylene glycol 138.09
    NMP 333.38
    cyclohexane 24.38
    DMSO 550.43
    n-butyl acetate 176.21
    n-octanol 152.58
    chloroform 633.78
    n-propyl acetate 185.97
    acetic acid 416.56
    dichloromethane 570.05
    cyclohexanone 295.94
    propylene glycol 93.25
    isopropyl acetate 105.17
    DMAc 458.46
    2-ethoxyethanol 245.09
    isopentanol 142.95
    n-heptane 15.1
    ethyl formate 213.65
    1,2-dichloroethane 387.91
    n-hexanol 163.15
    2-methoxyethanol 343.79
    isobutyl acetate 112.94
    tetrachloromethane 62.54
    n-pentyl acetate 129.41
    transcutol 824.08
    n-heptanol 131.83
    ethylbenzene 74.31
    MIBK 110.92
    2-propoxyethanol 217.18
    tert-butanol 281.63
    MTBE 158.77
    2-butoxyethanol 202.42
    propionic acid 236.19
    o-xylene 70.35
    formic acid 206.99
    diethyl ether 135.42
    m-xylene 60.82
    p-xylene 97.9
    chlorobenzene 164.68
    dimethyl carbonate 100.35
    n-octane 13.03
    formamide 410.1
    cyclopentanone 301.78
    2-pentanone 145.49
    anisole 177.13
    cyclopentyl methyl ether 109.38
    gamma-butyrolactone 388.84
    1-methoxy-2-propanol 214.0
    pyridine 277.79
    3-pentanone 109.82
    furfural 402.69
    n-dodecane 14.19
    diethylene glycol 238.19
    diisopropyl ether 45.22
    tert-amyl alcohol 207.4
    acetylacetone 181.24
    n-hexadecane 15.86
    acetophenone 181.13
    methyl propionate 141.38
    isopentyl acetate 149.25
    trichloroethylene 701.49
    n-nonanol 125.81
    cyclohexanol 125.56
    benzyl alcohol 142.96
    2-ethylhexanol 105.49
    isooctanol 109.68
    dipropyl ether 95.6
    1,2-dichlorobenzene 175.95
    ethyl lactate 108.43
    propylene carbonate 263.44
    n-methylformamide 340.66
    2-pentanol 101.57
    n-pentane 10.43
    1-propoxy-2-propanol 165.9
    1-methoxy-2-propyl acetate 140.09
    2-(2-methoxypropoxy) propanol 180.51
    mesitylene 50.63
    ε-caprolactone 242.17
    p-cymene 55.56
    epichlorohydrin 386.71
    1,1,1-trichloroethane 229.94
    2-aminoethanol 190.57
    morpholine-4-carbaldehyde 368.49
    sulfolane 465.12
    2,2,4-trimethylpentane 12.05
    2-methyltetrahydrofuran 176.66
    n-hexyl acetate 187.46
    isooctane 10.81
    2-(2-butoxyethoxy)ethanol 256.57
    sec-butyl acetate 101.18
    tert-butyl acetate 125.18
    decalin 20.47
    glycerin 164.83
    diglyme 468.71
    acrylic acid 243.48
    isopropyl myristate 77.99
    n-butyric acid 240.36
    acetyl acetate 130.14
    di(2-ethylhexyl) phthalate 72.84
    ethyl propionate 128.37
    nitromethane 625.27
    1,2-diethoxyethane 220.84
    benzonitrile 201.24
    trioctyl phosphate 63.43
    1-bromopropane 144.54
    gamma-valerolactone 354.18
    n-decanol 94.58
    triethyl phosphate 75.32
    4-methyl-2-pentanol 78.0
    propionitrile 214.57
    vinylene carbonate 285.9
    1,1,2-trichlorotrifluoroethane 323.21
    DMS 133.61
    cumene 64.74
    2-octanol 96.93
    2-hexanone 164.08
    octyl acetate 102.68
    limonene 70.94
    1,2-dimethoxyethane 409.15
    ethyl orthosilicate 72.75
    tributyl phosphate 70.85
    diacetone alcohol 169.57
    N,N-dimethylaniline 128.83
    acrylonitrile 315.03
    aniline 106.93
    1,3-propanediol 229.46
    bromobenzene 152.0
    dibromomethane 354.11
    1,1,2,2-tetrachloroethane 504.54
    2-methyl-cyclohexyl acetate 110.92
    tetrabutyl urea 97.92
    diisobutyl methanol 70.28
    2-phenylethanol 138.42
    styrene 94.52
    dioctyl adipate 106.89
    dimethyl sulfate 165.1
    ethyl butyrate 138.66
    methyl lactate 114.83
    butyl lactate 114.48
    diethyl carbonate 113.43
    propanediol butyl ether 202.02
    triethyl orthoformate 99.49
    p-tert-butyltoluene 50.43
    methyl 4-tert-butylbenzoate 159.22
    morpholine 341.06
    tert-butylamine 167.43
    n-dodecanol 71.95
    dimethoxymethane 239.4
    ethylene carbonate 223.72
    cyrene 156.89
    2-ethoxyethyl acetate 160.3
    2-ethylhexyl acetate 108.51
    1,2,4-trichlorobenzene 185.86
    4-methylpyridine 195.65
    dibutyl ether 125.01
    2,6-dimethyl-4-heptanol 70.28
    DEF 223.04
    dimethyl isosorbide 234.78
    tetrachloroethylene 357.31
    eugenol 166.81
    triacetin 175.85
    span 80 147.8
    1,4-butanediol 117.16
    1,1-dichloroethane 304.04
    2-methyl-1-pentanol 124.49
    methyl formate 298.49
    2-methyl-1-butanol 125.38
    n-decane 22.1
    butyronitrile 194.02
    3,7-dimethyl-1-octanol 109.45
    1-chlorooctane 91.76
    1-chlorotetradecane 36.37
    n-nonane 20.64
    undecane 17.38
    tert-butylcyclohexane 20.45
    cyclooctane 8.81
    cyclopentanol 132.12
    tetrahydropyran 222.08
    tert-amyl methyl ether 110.74
    2,5,8-trioxanonane 320.4
    1-hexene 56.21
    2-isopropoxyethanol 181.33
    2,2,2-trifluoroethanol 167.85
    methyl butyrate 201.87

    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