4-Hydroxy-2-methylacetophenone

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  • Identifiers

    CAS number
    875-59-2

    Molecular formula
    C9H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 82.29%
    Floral 63.28%
    Phenolic 62.13%
    Woody 60.45%
    Powdery 50.36%
    Fruity 45.92%
    Hay 45.14%
    Vanilla 45.13%
    Hawthorn 44.64%
    Balsamic 42.73%

     

    Flavor
    Sweet 70.99%
    Phenolic 49.12%
    Woody 45.92%
    Hawthorn 35.53%
    Powdery 35.06%
    Tobacco 34.68%
    Vanilla 31.38%
    Dry 30.99%
    Nutty 30.8%
    Floral 30.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    9.51 (weak base)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 132.41 ˚C est.

  • Synonyms

    • 875-59-2
    • 4'-Hydroxy-2'-methylacetophenone
    • 1-(4-Hydroxy-2-methylphenyl)ethanone
    • 4-Hydroxy-2-methylacetophenone
    • Ethanone, 1-(4-hydroxy-2-methylphenyl)-
    • 2-Methyl-4-hydroxyacetophenone
    • CHEBI:87314
    • 4-Acetyl-3-methylphenol
    • MFCD00002303
    • 8K85H86ZED
    • 1-(4-hydroxy-2-methylphenyl)ethan-1-one
    • 2'-methyl-4'-hydroxyacetophenone
    • 1-acetyl-4-hydroxy-2-methylbenzene
    • EINECS 212-874-2
    • NSC-63364
    • CHEMBL47807
    • DTXSID60236363
    • NSC 63364
    • 4 inverted exclamation marka-Hydroxy-2 inverted exclamation marka-methylacetophenone
    • 3-methyl-4-acetylphenol
    • 1-(4-Hydroxy-2-methyl-phenyl)-ethanone
    • NSC63364
    • UNII-8K85H86ZED
    • SCHEMBL96129
    • 2-methyl-4hydroxyacetophenone
    • DTXCID60158854
    • 4'-hydroxy-2'-methyl-acetophenone
    • (4-hydroxy-2-methylphenyl)ethanone
    • BCP22830
    • BDBM50220613
    • CK2556
    • STL444724
    • AKOS000112425
    • BCP9000042
    • CS-W010970
    • FH33776
    • HY-W010254
    • SB39272
    • 4'-Hydroxy-2'-methylacetophenone, 98%
    • 1-(4-Hydroxy-2-methylphenyl)ethanone #
    • AS-17850
    • PD158273
    • SY050679
    • DB-028903
    • H1124
    • NS00039203
    • EN300-137955
    • Q27159519
    • Z1255386683
    • 4 inverted exclamation mark -Hydroxy-2 inverted exclamation mark -methylacetophenone
    • 212-874-2

  • Applications

    4-Hydroxy-2-methylacetophenone (CAS 875-59-2) is primarily used as an intermediate in fragrance and flavor chemistry, serving as a versatile building block for the synthesis of aroma compounds; it is commonly evaluated for cosmetics and personal care applications as a fragrance precursor and for industrial manufacturing as an aromatic ketone intermediate; it can undergo functionalization to access derivatives for coatings and inks; it may also participate in synthetic routes to pharmaceutical intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 614.73
    methanol 955.8
    isopropanol 365.37
    water 7.26
    ethyl acetate 626.14
    n-propanol 429.7
    acetone 1026.47
    n-butanol 348.39
    acetonitrile 793.49
    DMF 1457.99
    toluene 77.81
    isobutanol 241.92
    1,4-dioxane 2202.49
    methyl acetate 656.0
    THF 2490.93
    2-butanone 500.86
    n-pentanol 205.92
    sec-butanol 230.3
    n-hexane 21.6
    ethylene glycol 149.38
    NMP 1023.04
    cyclohexane 31.75
    DMSO 1057.51
    n-butyl acetate 253.73
    n-octanol 157.88
    chloroform 383.77
    n-propyl acetate 289.46
    acetic acid 518.66
    dichloromethane 683.47
    cyclohexanone 706.19
    propylene glycol 132.46
    isopropyl acetate 281.21
    DMAc 518.56
    2-ethoxyethanol 447.5
    isopentanol 213.2
    n-heptane 30.69
    ethyl formate 510.14
    1,2-dichloroethane 469.06
    n-hexanol 255.54
    2-methoxyethanol 950.11
    isobutyl acetate 140.26
    tetrachloromethane 51.56
    n-pentyl acetate 176.62
    transcutol 1228.51
    n-heptanol 113.22
    ethylbenzene 47.8
    MIBK 222.59
    2-propoxyethanol 564.4
    tert-butanol 399.77
    MTBE 294.55
    2-butoxyethanol 247.46
    propionic acid 344.65
    o-xylene 55.75
    formic acid 327.74
    diethyl ether 641.53
    m-xylene 75.26
    p-xylene 62.01
    chlorobenzene 147.92
    dimethyl carbonate 305.63
    n-octane 13.04
    formamide 655.94
    cyclopentanone 1144.56
    2-pentanone 480.69
    anisole 218.08
    cyclopentyl methyl ether 645.8
    gamma-butyrolactone 1659.76
    1-methoxy-2-propanol 587.02
    pyridine 362.18
    3-pentanone 293.61
    furfural 760.85
    n-dodecane 13.99
    diethylene glycol 433.4
    diisopropyl ether 115.5
    tert-amyl alcohol 219.65
    acetylacetone 575.16
    n-hexadecane 16.03
    acetophenone 175.12
    methyl propionate 490.37
    isopentyl acetate 178.55
    trichloroethylene 585.36
    n-nonanol 140.93
    cyclohexanol 262.9
    benzyl alcohol 148.07
    2-ethylhexanol 112.25
    isooctanol 81.84
    dipropyl ether 238.28
    1,2-dichlorobenzene 127.05
    ethyl lactate 131.97
    propylene carbonate 588.47
    n-methylformamide 941.9
    2-pentanol 191.68
    n-pentane 25.68
    1-propoxy-2-propanol 300.58
    1-methoxy-2-propyl acetate 299.9
    2-(2-methoxypropoxy) propanol 231.45
    mesitylene 49.31
    ε-caprolactone 611.11
    p-cymene 45.98
    epichlorohydrin 1458.62
    1,1,1-trichloroethane 255.09
    2-aminoethanol 245.77
    morpholine-4-carbaldehyde 1151.8
    sulfolane 1055.97
    2,2,4-trimethylpentane 12.1
    2-methyltetrahydrofuran 1122.2
    n-hexyl acetate 309.99
    isooctane 11.5
    2-(2-butoxyethoxy)ethanol 410.2
    sec-butyl acetate 154.87
    tert-butyl acetate 281.5
    decalin 18.34
    glycerin 211.33
    diglyme 749.84
    acrylic acid 291.36
    isopropyl myristate 110.83
    n-butyric acid 404.38
    acetyl acetate 369.35
    di(2-ethylhexyl) phthalate 87.69
    ethyl propionate 267.82
    nitromethane 1400.41
    1,2-diethoxyethane 431.31
    benzonitrile 203.36
    trioctyl phosphate 79.72
    1-bromopropane 197.88
    gamma-valerolactone 1469.46
    n-decanol 107.42
    triethyl phosphate 95.29
    4-methyl-2-pentanol 95.33
    propionitrile 403.0
    vinylene carbonate 525.9
    1,1,2-trichlorotrifluoroethane 354.72
    DMS 275.1
    cumene 40.43
    2-octanol 87.01
    2-hexanone 241.85
    octyl acetate 150.52
    limonene 74.77
    1,2-dimethoxyethane 862.25
    ethyl orthosilicate 89.57
    tributyl phosphate 98.45
    diacetone alcohol 303.76
    N,N-dimethylaniline 113.86
    acrylonitrile 452.9
    aniline 156.0
    1,3-propanediol 390.87
    bromobenzene 119.12
    dibromomethane 324.34
    1,1,2,2-tetrachloroethane 334.53
    2-methyl-cyclohexyl acetate 144.28
    tetrabutyl urea 119.9
    diisobutyl methanol 70.09
    2-phenylethanol 160.74
    styrene 58.14
    dioctyl adipate 153.13
    dimethyl sulfate 346.43
    ethyl butyrate 205.57
    methyl lactate 211.35
    butyl lactate 134.03
    diethyl carbonate 146.44
    propanediol butyl ether 239.58
    triethyl orthoformate 142.4
    p-tert-butyltoluene 46.92
    methyl 4-tert-butylbenzoate 169.55
    morpholine 1823.72
    tert-butylamine 203.25
    n-dodecanol 80.61
    dimethoxymethane 1245.89
    ethylene carbonate 480.43
    cyrene 228.48
    2-ethoxyethyl acetate 314.69
    2-ethylhexyl acetate 138.98
    1,2,4-trichlorobenzene 145.73
    4-methylpyridine 344.38
    dibutyl ether 209.97
    2,6-dimethyl-4-heptanol 70.09
    DEF 474.8
    dimethyl isosorbide 470.35
    tetrachloroethylene 192.67
    eugenol 168.27
    triacetin 258.13
    span 80 192.4
    1,4-butanediol 128.1
    1,1-dichloroethane 344.52
    2-methyl-1-pentanol 135.99
    methyl formate 923.77
    2-methyl-1-butanol 192.12
    n-decane 23.83
    butyronitrile 384.81
    3,7-dimethyl-1-octanol 118.47
    1-chlorooctane 93.54
    1-chlorotetradecane 39.9
    n-nonane 22.33
    undecane 17.89
    tert-butylcyclohexane 18.05
    cyclooctane 12.32
    cyclopentanol 430.38
    tetrahydropyran 1173.01
    tert-amyl methyl ether 192.49
    2,5,8-trioxanonane 472.32
    1-hexene 77.17
    2-isopropoxyethanol 260.69
    2,2,2-trifluoroethanol 215.62
    methyl butyrate 324.28

    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