1-(4-Hydroxyphenyl)butan-2-one

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  • Identifiers

    CAS number
    91060-98-9

    Molecular formula
    C10H12O2

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

  • Odor profile

    Fruity 65.93%
    Sweet 56.31%
    Floral 46.63%
    Phenolic 38.4%
    Woody 35.85%
    Vanilla 35.08%
    Spicy 34.0%
    Caramellic 33.33%
    Berry 31.01%
    Animal 29.81%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point est.
    136.65 ˚C

  • Synonyms

    • 1-(4-hydroxyphenyl)butan-2-one
    • p-hydroxyphenylbutanone
    • 91060-98-9
    • (4-hydroxyphenyl)butanone
    • SCHEMBL43309
    • PARHMNZPOUVEIQ-UHFFFAOYSA-N
    • AKOS018659308
    • EN300-2177633

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 571.12
    methanol 717.19
    isopropanol 472.69
    water 2.11
    ethyl acetate 286.69
    n-propanol 386.53
    acetone 703.81
    n-butanol 308.54
    acetonitrile 421.04
    DMF 857.94
    toluene 56.62
    isobutanol 237.77
    1,4-dioxane 547.87
    methyl acetate 435.13
    THF 454.8
    2-butanone 505.64
    n-pentanol 243.4
    sec-butanol 312.41
    n-hexane 7.12
    ethylene glycol 239.89
    NMP 274.19
    cyclohexane 3.98
    DMSO 999.62
    n-butyl acetate 153.97
    n-octanol 88.91
    chloroform 353.51
    n-propyl acetate 171.08
    acetic acid 348.28
    dichloromethane 270.8
    cyclohexanone 271.29
    propylene glycol 357.96
    isopropyl acetate 128.63
    DMAc 699.6
    2-ethoxyethanol 451.74
    isopentanol 247.18
    n-heptane 3.35
    ethyl formate 177.58
    1,2-dichloroethane 222.99
    n-hexanol 191.26
    2-methoxyethanol 649.2
    isobutyl acetate 108.27
    tetrachloromethane 33.01
    n-pentyl acetate 81.11
    transcutol 1150.22
    n-heptanol 81.78
    ethylbenzene 54.09
    MIBK 146.29
    2-propoxyethanol 332.06
    tert-butanol 580.83
    MTBE 273.72
    2-butoxyethanol 180.19
    propionic acid 329.76
    o-xylene 49.48
    formic acid 195.51
    diethyl ether 198.42
    m-xylene 47.28
    p-xylene 65.06
    chlorobenzene 94.14
    dimethyl carbonate 106.48
    n-octane 2.5
    formamide 350.13
    cyclopentanone 362.22
    2-pentanone 259.94
    anisole 211.94
    cyclopentyl methyl ether 145.24
    gamma-butyrolactone 382.15
    1-methoxy-2-propanol 443.99
    pyridine 253.34
    3-pentanone 184.69
    furfural 341.18
    n-dodecane 3.12
    diethylene glycol 355.04
    diisopropyl ether 39.06
    tert-amyl alcohol 367.57
    acetylacetone 265.68
    n-hexadecane 3.56
    acetophenone 162.82
    methyl propionate 245.96
    isopentyl acetate 142.15
    trichloroethylene 427.39
    n-nonanol 74.43
    cyclohexanol 140.95
    benzyl alcohol 181.55
    2-ethylhexanol 92.24
    isooctanol 69.08
    dipropyl ether 60.93
    1,2-dichlorobenzene 89.94
    ethyl lactate 106.9
    propylene carbonate 180.06
    n-methylformamide 425.31
    2-pentanol 178.63
    n-pentane 3.08
    1-propoxy-2-propanol 211.09
    1-methoxy-2-propyl acetate 177.13
    2-(2-methoxypropoxy) propanol 198.63
    mesitylene 28.79
    ε-caprolactone 225.66
    p-cymene 29.16
    epichlorohydrin 483.59
    1,1,1-trichloroethane 180.21
    2-aminoethanol 384.33
    morpholine-4-carbaldehyde 420.7
    sulfolane 405.08
    2,2,4-trimethylpentane 6.16
    2-methyltetrahydrofuran 297.51
    n-hexyl acetate 141.02
    isooctane 5.26
    2-(2-butoxyethoxy)ethanol 288.34
    sec-butyl acetate 108.28
    tert-butyl acetate 160.98
    decalin 8.09
    glycerin 383.74
    diglyme 451.4
    acrylic acid 270.55
    isopropyl myristate 49.22
    n-butyric acid 275.76
    acetyl acetate 133.13
    di(2-ethylhexyl) phthalate 58.23
    ethyl propionate 137.5
    nitromethane 641.65
    1,2-diethoxyethane 203.94
    benzonitrile 157.45
    trioctyl phosphate 39.63
    1-bromopropane 97.64
    gamma-valerolactone 423.21
    n-decanol 55.33
    triethyl phosphate 56.31
    4-methyl-2-pentanol 101.95
    propionitrile 271.72
    vinylene carbonate 176.39
    1,1,2-trichlorotrifluoroethane 351.25
    DMS 131.74
    cumene 41.8
    2-octanol 55.09
    2-hexanone 199.44
    octyl acetate 64.91
    limonene 38.14
    1,2-dimethoxyethane 537.55
    ethyl orthosilicate 54.19
    tributyl phosphate 52.62
    diacetone alcohol 272.91
    N,N-dimethylaniline 113.68
    acrylonitrile 332.17
    aniline 152.19
    1,3-propanediol 410.54
    bromobenzene 75.22
    dibromomethane 151.4
    1,1,2,2-tetrachloroethane 343.43
    2-methyl-cyclohexyl acetate 86.85
    tetrabutyl urea 70.24
    diisobutyl methanol 51.47
    2-phenylethanol 140.46
    styrene 71.65
    dioctyl adipate 74.37
    dimethyl sulfate 183.3
    ethyl butyrate 100.93
    methyl lactate 158.37
    butyl lactate 94.09
    diethyl carbonate 77.88
    propanediol butyl ether 234.61
    triethyl orthoformate 69.38
    p-tert-butyltoluene 29.32
    methyl 4-tert-butylbenzoate 118.47
    morpholine 582.65
    tert-butylamine 233.5
    n-dodecanol 40.43
    dimethoxymethane 315.24
    ethylene carbonate 136.98
    cyrene 155.61
    2-ethoxyethyl acetate 152.48
    2-ethylhexyl acetate 97.05
    1,2,4-trichlorobenzene 118.34
    4-methylpyridine 257.31
    dibutyl ether 79.0
    2,6-dimethyl-4-heptanol 51.47
    DEF 242.86
    dimethyl isosorbide 231.75
    tetrachloroethylene 191.31
    eugenol 143.18
    triacetin 139.54
    span 80 144.94
    1,4-butanediol 205.03
    1,1-dichloroethane 236.61
    2-methyl-1-pentanol 196.44
    methyl formate 287.54
    2-methyl-1-butanol 214.61
    n-decane 5.19
    butyronitrile 223.08
    3,7-dimethyl-1-octanol 91.1
    1-chlorooctane 34.72
    1-chlorotetradecane 13.21
    n-nonane 4.57
    undecane 3.9
    tert-butylcyclohexane 10.62
    cyclooctane 1.7
    cyclopentanol 162.41
    tetrahydropyran 283.23
    tert-amyl methyl ether 164.41
    2,5,8-trioxanonane 313.24
    1-hexene 61.14
    2-isopropoxyethanol 295.21
    2,2,2-trifluoroethanol 126.63
    methyl butyrate 183.19

    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