3-Hydroxy-4-phenylbutan-2-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5355-63-5

    Molecular formula
    C10H12O2

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

  • Odor profile

    Sweet 82.2%
    Fruity 63.4%
    Creamy 47.94%
    Floral 44.96%
    Caramellic 44.41%
    Vanilla 42.3%
    Balsamic 40.07%
    Honey 38.43%
    Spicy 36.7%
    Almond 34.78%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.71 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    266°C

    Flash point est.
    127.3 ˚C

    Solubility expt.

    • Soluble in non-polar solvents; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3-hydroxy-4-phenylbutan-2-one
    • 5355-63-5
    • 3-HYDROXY-4-PHENYL-2-BUTANONE
    • 2-Butanone, 3-hydroxy-4-phenyl-
    • 4-Phenyl-3-hydroxybutan-2-one
    • FEMA no. 4052
    • UNII-EP0R730B2H
    • EP0R730B2H
    • 3-Hydroxy-4-phenylbutan-2-one [FHFI]
    • 2-Butanone, 3-hydroxy-4-phenyl
    • DTXSID20968310
    • SCHEMBL105702
    • DTXCID10997578
    • CHEBI:180403
    • NS00124598
    • Q27277276
    • 611-012-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 259.29
    methanol 384.63
    isopropanol 174.31
    water 14.67
    ethyl acetate 136.34
    n-propanol 169.64
    acetone 144.14
    n-butanol 125.9
    acetonitrile 160.5
    DMF 336.28
    toluene 25.84
    isobutanol 105.71
    1,4-dioxane 330.87
    methyl acetate 157.56
    THF 166.22
    2-butanone 123.04
    n-pentanol 96.76
    sec-butanol 113.15
    n-hexane 2.53
    ethylene glycol 198.09
    NMP 150.95
    cyclohexane 4.66
    DMSO 352.15
    n-butyl acetate 65.91
    n-octanol 47.42
    chloroform 157.35
    n-propyl acetate 76.92
    acetic acid 271.24
    dichloromethane 145.19
    cyclohexanone 137.47
    propylene glycol 189.72
    isopropyl acetate 60.55
    DMAc 334.81
    2-ethoxyethanol 227.8
    isopentanol 108.67
    n-heptane 4.18
    ethyl formate 108.11
    1,2-dichloroethane 98.67
    n-hexanol 92.82
    2-methoxyethanol 356.39
    isobutyl acetate 51.97
    tetrachloromethane 16.39
    n-pentyl acetate 33.59
    transcutol 612.88
    n-heptanol 48.36
    ethylbenzene 27.68
    MIBK 65.6
    2-propoxyethanol 168.93
    tert-butanol 217.51
    MTBE 80.31
    2-butoxyethanol 103.95
    propionic acid 186.28
    o-xylene 32.72
    formic acid 227.33
    diethyl ether 63.44
    m-xylene 28.12
    p-xylene 35.44
    chlorobenzene 47.25
    dimethyl carbonate 55.84
    n-octane 2.54
    formamide 329.98
    cyclopentanone 159.56
    2-pentanone 78.88
    anisole 97.48
    cyclopentyl methyl ether 64.17
    gamma-butyrolactone 195.08
    1-methoxy-2-propanol 212.31
    pyridine 130.82
    3-pentanone 63.22
    furfural 224.26
    n-dodecane 2.85
    diethylene glycol 215.3
    diisopropyl ether 17.83
    tert-amyl alcohol 142.79
    acetylacetone 106.51
    n-hexadecane 3.12
    acetophenone 88.22
    methyl propionate 104.14
    isopentyl acetate 62.55
    trichloroethylene 207.64
    n-nonanol 42.73
    cyclohexanol 76.45
    benzyl alcohol 92.74
    2-ethylhexanol 52.32
    isooctanol 41.54
    dipropyl ether 40.24
    1,2-dichlorobenzene 50.64
    ethyl lactate 65.05
    propylene carbonate 120.32
    n-methylformamide 209.17
    2-pentanol 72.37
    n-pentane 2.02
    1-propoxy-2-propanol 112.53
    1-methoxy-2-propyl acetate 86.91
    2-(2-methoxypropoxy) propanol 117.12
    mesitylene 20.0
    ε-caprolactone 116.37
    p-cymene 21.69
    epichlorohydrin 204.71
    1,1,1-trichloroethane 62.51
    2-aminoethanol 248.18
    morpholine-4-carbaldehyde 255.82
    sulfolane 217.49
    2,2,4-trimethylpentane 3.8
    2-methyltetrahydrofuran 101.02
    n-hexyl acetate 57.71
    isooctane 3.32
    2-(2-butoxyethoxy)ethanol 160.75
    sec-butyl acetate 49.03
    tert-butyl acetate 68.21
    decalin 5.71
    glycerin 255.35
    diglyme 280.76
    acrylic acid 179.52
    isopropyl myristate 27.01
    n-butyric acid 177.26
    acetyl acetate 80.41
    di(2-ethylhexyl) phthalate 36.13
    ethyl propionate 66.97
    nitromethane 372.38
    1,2-diethoxyethane 105.06
    benzonitrile 77.36
    trioctyl phosphate 25.43
    1-bromopropane 31.13
    gamma-valerolactone 226.09
    n-decanol 33.31
    triethyl phosphate 38.64
    4-methyl-2-pentanol 51.06
    propionitrile 110.47
    vinylene carbonate 120.95
    1,1,2-trichlorotrifluoroethane 198.28
    DMS 60.65
    cumene 25.14
    2-octanol 27.44
    2-hexanone 71.15
    octyl acetate 34.09
    limonene 28.77
    1,2-dimethoxyethane 264.53
    ethyl orthosilicate 37.68
    tributyl phosphate 30.56
    diacetone alcohol 128.58
    N,N-dimethylaniline 69.64
    acrylonitrile 151.68
    aniline 66.65
    1,3-propanediol 244.38
    bromobenzene 36.28
    dibromomethane 68.96
    1,1,2,2-tetrachloroethane 170.83
    2-methyl-cyclohexyl acetate 55.53
    tetrabutyl urea 42.25
    diisobutyl methanol 33.32
    2-phenylethanol 73.33
    styrene 31.15
    dioctyl adipate 46.04
    dimethyl sulfate 97.05
    ethyl butyrate 62.47
    methyl lactate 90.04
    butyl lactate 48.9
    diethyl carbonate 49.69
    propanediol butyl ether 120.56
    triethyl orthoformate 45.72
    p-tert-butyltoluene 20.48
    methyl 4-tert-butylbenzoate 80.03
    morpholine 288.68
    tert-butylamine 99.39
    n-dodecanol 25.82
    dimethoxymethane 145.84
    ethylene carbonate 94.94
    cyrene 109.53
    2-ethoxyethyl acetate 68.49
    2-ethylhexyl acetate 44.75
    1,2,4-trichlorobenzene 63.69
    4-methylpyridine 97.61
    dibutyl ether 36.87
    2,6-dimethyl-4-heptanol 33.32
    DEF 118.87
    dimethyl isosorbide 153.46
    tetrachloroethylene 114.67
    eugenol 87.98
    triacetin 82.72
    span 80 87.39
    1,4-butanediol 112.5
    1,1-dichloroethane 72.01
    2-methyl-1-pentanol 87.13
    methyl formate 162.06
    2-methyl-1-butanol 95.01
    n-decane 4.22
    butyronitrile 95.22
    3,7-dimethyl-1-octanol 45.74
    1-chlorooctane 18.71
    1-chlorotetradecane 8.98
    n-nonane 3.63
    undecane 3.38
    tert-butylcyclohexane 6.3
    cyclooctane 2.29
    cyclopentanol 80.82
    tetrahydropyran 122.85
    tert-amyl methyl ether 61.45
    2,5,8-trioxanonane 203.09
    1-hexene 15.73
    2-isopropoxyethanol 144.01
    2,2,2-trifluoroethanol 120.77
    methyl butyrate 93.48

    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

Botanical

Name CAS Botanical Proportion
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 2.85%
Dendrobium beckleri flower headspace Dendrobium beckleri Sw., fam. Orchidaceae 1.1%