2-Hydroxy-1-(4-(hydroxyethoxy)phenyl)-2-methyl-1-propanone

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  • Identifiers

    CAS number
    106797-53-9

    Molecular formula
    C12H16O4

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 59.47%
    Vanilla 45.74%
    Creamy 44.69%
    Floral 43.28%
    Powdery 37.46%
    Milky 29.67%
    Balsamic 29.53%
    Musk 28.99%
    Buttery 24.91%
    Odorless 24.07%

     

    Flavor
    Sweet 62.69%
    Fruity 57.43%
    Bitter 40.57%
    Creamy 37.42%
    Floral 33.07%
    Powdery 31.09%
    Grape 28.23%
    Mild 27.9%
    Berry 24.71%
    Balsam 22.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    9.2 (weak base)

    Molecular weight
    224.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    410°C

    Flash point

    • 180.66 ˚C est.

  • Synonyms

    • Irgacure 2959
    • 2-hydroxy-1-(4-(hydroxyethoxy)phenyl)-2-methyl-1-propanone
    • 2-hydroxy-1-[4-(hydroxyethoxy)phenyl]-2-methyl-1-propanone
    • RefChem:436321
    • 106797-53-9
    • 2-Hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methylpropan-1-one
    • 2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone
    • 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one
    • Darocur 2959
    • 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-propanone
    • MFCD00085267
    • 1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-
    • I2959
    • 2-hydroxy-4-(2-hydroxyethoxy)-2-methylpropiophenone
    • DTXSID6044777
    • 2-Hydroxy-4 inverted exclamation marka-(2-hydroxyethoxy)-2-methylpropiophenone
    • 1-[4-(2-hydroxyethoxy)phenyl]-2-hydroxy-2-methyl-1-propanone
    • 2-Hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methyl-1-propanone
    • 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-propan-1-one
    • 1-Propanone, 2-hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methyl-
    • 4-(2-Hydroxyethoxy)phenyl 2-hydroxy-2-propyl ketone
    • IRGACURE2959
    • photoinitiator 2959
    • 2-hydroxy-4'-(2-hydroxyethoxy)-2-methyl propiophenone
    • Darocur 2595
    • SCHEMBL36443
    • orb2944117
    • CHEMBL3188617
    • DTXCID4024777
    • IRGC 2959
    • CHEBI:170047
    • 2-hydroxy-2-methyl-1-[4-(2-hydroxyethoxy)phenyl]propan-1-one
    • IRG 2959
    • ZLI 2959
    • Tox21_301074
    • SBB057710
    • AKOS015889779
    • CS-W014224
    • DC 2959
    • FH63052
    • HY-W013508
    • UV 2959
    • NCGC00248279-01
    • NCGC00254975-01
    • DS-17470
    • SY052526
    • DB-059511
    • CAS-106797-53-9
    • H1361
    • NS00014925
    • ST50319509
    • D 2959
    • D70491
    • I 2959
    • F234409
    • 2-Hydroxy-4'-(2-hydroxyethoxy) -2-methylpropiophenone
    • 2-Hydroxy-4\'-(2-hydroxyethoxy)-2-methylpropiophenone
    • 4-(2-hydroxyethoxy)phenyl (2-hydroxy-2-propyl) ketone
    • 1-(4-(2-hydroxyethoxy)phenyl)-2-hydroxy-2-methylpropan-1-one
    • 2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone, 98%
    • 1-[4-(2-Hydroxyethoxy)phenyl]-2-hydroxy-2-methyl-1-propan-1-one
    • 2-hydroxy-1-[4-(2-hydroxy-ethoxy)phenyl]-2-methylpropan-1-one
    • 2-Hydroxy-4 inverted exclamation mark -(2-hydroxyethoxy)-2-methylpropiophenone
    • 106797-53-9

  • Applications

    For 2-Hydroxy-1-(4-(hydroxyethoxy)phenyl)-2-methyl-1-propanone (CAS 106797-53-9), real-world applications span fragrance and cosmetics, where it serves as a fragrance-related intermediate or odorant in perfumery and cosmetic formulations; as a scent component in household products; as an organic synthesis intermediate in industrial manufacturing of fine chemicals; as a synthetic intermediate in pharmaceutical chemistry; and as a building block for specialty polymers and functional materials used in plastics and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 209.9
    methanol 324.95
    isopropanol 146.32
    water 2.8
    ethyl acetate 101.39
    n-propanol 139.66
    acetone 345.84
    n-butanol 106.59
    acetonitrile 116.32
    DMF 761.17
    toluene 12.91
    isobutanol 84.97
    1,4-dioxane 151.13
    methyl acetate 133.77
    THF 382.67
    2-butanone 164.04
    n-pentanol 85.83
    sec-butanol 118.24
    n-hexane 3.87
    ethylene glycol 163.3
    NMP 359.02
    cyclohexane 2.63
    DMSO 1297.02
    n-butyl acetate 71.65
    n-octanol 38.59
    chloroform 130.66
    n-propyl acetate 77.38
    acetic acid 308.18
    dichloromethane 155.02
    cyclohexanone 144.68
    propylene glycol 170.19
    isopropyl acetate 67.94
    DMAc 598.1
    2-ethoxyethanol 288.79
    isopentanol 92.4
    n-heptane 2.51
    ethyl formate 89.86
    1,2-dichloroethane 124.57
    n-hexanol 68.3
    2-methoxyethanol 432.7
    isobutyl acetate 44.45
    tetrachloromethane 15.72
    n-pentyl acetate 39.24
    transcutol 637.6
    n-heptanol 30.61
    ethylbenzene 15.34
    MIBK 87.71
    2-propoxyethanol 176.14
    tert-butanol 253.39
    MTBE 136.29
    2-butoxyethanol 81.78
    propionic acid 138.09
    o-xylene 18.56
    formic acid 327.65
    diethyl ether 95.67
    m-xylene 16.16
    p-xylene 17.25
    chlorobenzene 29.6
    dimethyl carbonate 87.74
    n-octane 1.57
    formamide 446.12
    cyclopentanone 253.43
    2-pentanone 126.22
    anisole 78.56
    cyclopentyl methyl ether 101.51
    gamma-butyrolactone 268.27
    1-methoxy-2-propanol 284.91
    pyridine 67.97
    3-pentanone 91.29
    furfural 220.31
    n-dodecane 1.7
    diethylene glycol 234.96
    diisopropyl ether 25.27
    tert-amyl alcohol 194.18
    acetylacetone 192.25
    n-hexadecane 1.89
    acetophenone 86.46
    methyl propionate 112.99
    isopentyl acetate 68.62
    trichloroethylene 217.38
    n-nonanol 33.94
    cyclohexanol 68.54
    benzyl alcohol 76.35
    2-ethylhexanol 40.8
    isooctanol 27.48
    dipropyl ether 37.65
    1,2-dichlorobenzene 43.77
    ethyl lactate 78.14
    propylene carbonate 125.93
    n-methylformamide 306.78
    2-pentanol 72.71
    n-pentane 2.85
    1-propoxy-2-propanol 121.18
    1-methoxy-2-propyl acetate 111.14
    2-(2-methoxypropoxy) propanol 131.36
    mesitylene 12.18
    ε-caprolactone 130.42
    p-cymene 16.29
    epichlorohydrin 285.38
    1,1,1-trichloroethane 69.11
    2-aminoethanol 197.38
    morpholine-4-carbaldehyde 326.77
    sulfolane 442.28
    2,2,4-trimethylpentane 4.77
    2-methyltetrahydrofuran 160.48
    n-hexyl acetate 69.45
    isooctane 3.17
    2-(2-butoxyethoxy)ethanol 163.12
    sec-butyl acetate 50.97
    tert-butyl acetate 105.86
    decalin 4.22
    glycerin 292.96
    diglyme 300.59
    acrylic acid 158.01
    isopropyl myristate 27.53
    n-butyric acid 125.05
    acetyl acetate 79.11
    di(2-ethylhexyl) phthalate 36.15
    ethyl propionate 70.42
    nitromethane 493.46
    1,2-diethoxyethane 107.06
    benzonitrile 57.07
    trioctyl phosphate 26.9
    1-bromopropane 44.73
    gamma-valerolactone 271.3
    n-decanol 24.88
    triethyl phosphate 43.52
    4-methyl-2-pentanol 47.41
    propionitrile 74.36
    vinylene carbonate 110.02
    1,1,2-trichlorotrifluoroethane 275.54
    DMS 85.29
    cumene 15.28
    2-octanol 22.16
    2-hexanone 84.84
    octyl acetate 36.08
    limonene 24.32
    1,2-dimethoxyethane 321.9
    ethyl orthosilicate 40.29
    tributyl phosphate 35.9
    diacetone alcohol 178.93
    N,N-dimethylaniline 62.04
    acrylonitrile 109.78
    aniline 45.09
    1,3-propanediol 207.85
    bromobenzene 24.0
    dibromomethane 80.92
    1,1,2,2-tetrachloroethane 176.59
    2-methyl-cyclohexyl acetate 56.37
    tetrabutyl urea 50.22
    diisobutyl methanol 25.51
    2-phenylethanol 61.22
    styrene 17.72
    dioctyl adipate 50.69
    dimethyl sulfate 209.6
    ethyl butyrate 56.72
    methyl lactate 123.76
    butyl lactate 59.13
    diethyl carbonate 46.6
    propanediol butyl ether 127.54
    triethyl orthoformate 49.03
    p-tert-butyltoluene 16.68
    methyl 4-tert-butylbenzoate 82.62
    morpholine 215.61
    tert-butylamine 103.31
    n-dodecanol 18.5
    dimethoxymethane 291.34
    ethylene carbonate 88.6
    cyrene 132.67
    2-ethoxyethyl acetate 78.51
    2-ethylhexyl acetate 48.7
    1,2,4-trichlorobenzene 57.28
    4-methylpyridine 74.48
    dibutyl ether 34.79
    2,6-dimethyl-4-heptanol 25.51
    DEF 169.3
    dimethyl isosorbide 173.35
    tetrachloroethylene 103.89
    eugenol 82.0
    triacetin 99.32
    span 80 84.18
    1,4-butanediol 110.31
    1,1-dichloroethane 78.32
    2-methyl-1-pentanol 74.34
    methyl formate 223.17
    2-methyl-1-butanol 90.46
    n-decane 2.97
    butyronitrile 63.56
    3,7-dimethyl-1-octanol 40.84
    1-chlorooctane 16.52
    1-chlorotetradecane 6.53
    n-nonane 2.61
    undecane 2.14
    tert-butylcyclohexane 4.69
    cyclooctane 1.36
    cyclopentanol 85.03
    tetrahydropyran 98.13
    tert-amyl methyl ether 107.23
    2,5,8-trioxanonane 213.76
    1-hexene 17.38
    2-isopropoxyethanol 157.79
    2,2,2-trifluoroethanol 152.42
    methyl butyrate 97.15

    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