2'-Hydroxy-4'-methylacetophenone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6921-64-8

    Molecular formula
    C9H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 87.24%
    Phenolic 64.8%
    Floral 62.65%
    Woody 52.93%
    Herbal 52.18%
    Hawthorn 50.54%
    Hay 48.41%
    Cherry 47.72%
    Powdery 45.92%
    Vanilla 45.07%

     

    Flavor
    Sweet 70.24%
    Phenolic 54.97%
    Woody 50.35%
    Tobacco 36.12%
    Powdery 34.87%
    Hawthorn 34.59%
    Herbal 32.71%
    Floral 32.22%
    Spicy 32.12%
    Dry 32.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.48 (weak base)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 126.15 ˚C est.

  • Synonyms

    • 6921-64-8
    • 2'-Hydroxy-4'-methylacetophenone
    • 1-(2-hydroxy-4-methylphenyl)ethanone
    • 1-(2-Hydroxy-4-methylphenyl)ethan-1-one
    • Ethanone, 1-(2-hydroxy-4-methylphenyl)-
    • 2-hydroxy-4-methylacetophenone
    • 1-(2-Hydroxy-4-methyl-phenyl)-ethanone
    • UNII-Q168P7RG3B
    • Q168P7RG3B
    • 4'-Methyl-2'-hydroxyacetophenone
    • EINECS 230-040-6
    • MFCD00100559
    • AI3-28646
    • 2-ACETYL-5-METHYLPHENOL
    • DTXSID4064503
    • ACETOPHENONE, 2'-HYDROXY-4'-METHYL-
    • 2-HYDROXY-4-METHYLPHENYL METHYL KETONE
    • 4-methyl-2-hydroxyacetophenone
    • SCHEMBL760290
    • BP 3
    • CHEMBL1240948
    • DTXCID1046473
    • s5173
    • AKOS000295783
    • CCG-266205
    • 2'-Hydroxy-4'-methylacetophenone, 97%
    • HY-34204
    • PD088271
    • SY037234
    • TS-01976
    • DB-031095
    • CS-0019286
    • H1530
    • NS00036812
    • EN300-24186
    • Q27286878
    • Z169857138
    • 2 inverted exclamation mark -Hydroxy-4 inverted exclamation mark -methylacetophenone
    • 230-040-6

  • Applications

    2'-Hydroxy-4'-methylacetophenone (CAS 6921-64-8) is an o-hydroxyacetophenone bearing both phenolic and ketone functions, making it a versatile intermediate for pharmaceuticals, agrochemicals, and dyes; it serves as a starting material for Claisen–Schmidt condensations to access chalcones and flavones/aurones, for O-alkylation/O-acylation toward salicylate derivatives, and for preparing Schiff bases and metal chelates applied in catalysis, chemical sensing, and selective metal extraction; in materials science it is used as a building block for UV absorbers and ESIPT-type luminophores, as well as precursors of antioxidants and polymer stabilizers, and it is also employed as a reference standard/impurity marker in quality control and analytical research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 512.51
    methanol 692.87
    isopropanol 381.62
    water 3.78
    ethyl acetate 412.98
    n-propanol 371.69
    acetone 650.05
    n-butanol 328.27
    acetonitrile 841.9
    DMF 1000.11
    toluene 55.77
    isobutanol 233.24
    1,4-dioxane 1460.53
    methyl acetate 421.3
    THF 1479.93
    2-butanone 333.88
    n-pentanol 207.31
    sec-butanol 238.29
    n-hexane 24.97
    ethylene glycol 111.21
    NMP 503.28
    cyclohexane 38.8
    DMSO 675.4
    n-butyl acetate 174.53
    n-octanol 132.34
    chloroform 350.16
    n-propyl acetate 208.73
    acetic acid 411.66
    dichloromethane 414.33
    cyclohexanone 453.29
    propylene glycol 137.04
    isopropyl acetate 184.07
    DMAc 345.34
    2-ethoxyethanol 313.62
    isopentanol 209.27
    n-heptane 30.51
    ethyl formate 353.09
    1,2-dichloroethane 255.53
    n-hexanol 266.04
    2-methoxyethanol 699.38
    isobutyl acetate 105.01
    tetrachloromethane 49.58
    n-pentyl acetate 107.01
    transcutol 717.18
    n-heptanol 104.17
    ethylbenzene 43.3
    MIBK 172.35
    2-propoxyethanol 442.72
    tert-butanol 450.19
    MTBE 230.77
    2-butoxyethanol 181.59
    propionic acid 273.78
    o-xylene 45.54
    formic acid 191.2
    diethyl ether 382.33
    m-xylene 59.5
    p-xylene 59.37
    chlorobenzene 100.07
    dimethyl carbonate 174.47
    n-octane 11.4
    formamide 391.28
    cyclopentanone 616.73
    2-pentanone 338.7
    anisole 163.83
    cyclopentyl methyl ether 377.4
    gamma-butyrolactone 806.09
    1-methoxy-2-propanol 487.13
    pyridine 241.51
    3-pentanone 201.75
    furfural 441.37
    n-dodecane 12.82
    diethylene glycol 349.62
    diisopropyl ether 84.73
    tert-amyl alcohol 240.74
    acetylacetone 349.23
    n-hexadecane 14.46
    acetophenone 124.03
    methyl propionate 296.2
    isopentyl acetate 131.83
    trichloroethylene 345.16
    n-nonanol 113.36
    cyclohexanol 245.14
    benzyl alcohol 125.08
    2-ethylhexanol 116.73
    isooctanol 81.67
    dipropyl ether 177.35
    1,2-dichlorobenzene 89.12
    ethyl lactate 109.56
    propylene carbonate 363.35
    n-methylformamide 577.07
    2-pentanol 196.52
    n-pentane 24.09
    1-propoxy-2-propanol 256.36
    1-methoxy-2-propyl acetate 205.12
    2-(2-methoxypropoxy) propanol 180.06
    mesitylene 44.2
    ε-caprolactone 359.95
    p-cymene 41.82
    epichlorohydrin 743.29
    1,1,1-trichloroethane 216.09
    2-aminoethanol 211.14
    morpholine-4-carbaldehyde 618.56
    sulfolane 576.12
    2,2,4-trimethylpentane 12.81
    2-methyltetrahydrofuran 690.3
    n-hexyl acetate 184.48
    isooctane 13.13
    2-(2-butoxyethoxy)ethanol 291.35
    sec-butyl acetate 108.15
    tert-butyl acetate 188.41
    decalin 19.91
    glycerin 188.47
    diglyme 506.97
    acrylic acid 216.62
    isopropyl myristate 81.53
    n-butyric acid 348.61
    acetyl acetate 236.41
    di(2-ethylhexyl) phthalate 69.14
    ethyl propionate 196.73
    nitromethane 858.67
    1,2-diethoxyethane 245.45
    benzonitrile 158.63
    trioctyl phosphate 63.3
    1-bromopropane 147.28
    gamma-valerolactone 752.81
    n-decanol 88.08
    triethyl phosphate 77.76
    4-methyl-2-pentanol 103.8
    propionitrile 383.78
    vinylene carbonate 318.06
    1,1,2-trichlorotrifluoroethane 255.51
    DMS 153.4
    cumene 38.57
    2-octanol 80.76
    2-hexanone 201.56
    octyl acetate 107.52
    limonene 67.28
    1,2-dimethoxyethane 653.66
    ethyl orthosilicate 72.82
    tributyl phosphate 74.7
    diacetone alcohol 241.06
    N,N-dimethylaniline 93.51
    acrylonitrile 389.23
    aniline 124.26
    1,3-propanediol 326.09
    bromobenzene 80.26
    dibromomethane 232.28
    1,1,2,2-tetrachloroethane 247.74
    2-methyl-cyclohexyl acetate 111.66
    tetrabutyl urea 93.04
    diisobutyl methanol 73.91
    2-phenylethanol 138.73
    styrene 48.92
    dioctyl adipate 111.5
    dimethyl sulfate 197.42
    ethyl butyrate 150.96
    methyl lactate 162.8
    butyl lactate 94.85
    diethyl carbonate 116.73
    propanediol butyl ether 173.24
    triethyl orthoformate 106.09
    p-tert-butyltoluene 43.77
    methyl 4-tert-butylbenzoate 132.89
    morpholine 1225.45
    tert-butylamine 232.82
    n-dodecanol 68.68
    dimethoxymethane 684.12
    ethylene carbonate 304.67
    cyrene 173.21
    2-ethoxyethyl acetate 162.71
    2-ethylhexyl acetate 102.1
    1,2,4-trichlorobenzene 102.81
    4-methylpyridine 222.47
    dibutyl ether 139.96
    2,6-dimethyl-4-heptanol 73.91
    DEF 301.64
    dimethyl isosorbide 309.87
    tetrachloroethylene 136.51
    eugenol 132.99
    triacetin 159.68
    span 80 154.98
    1,4-butanediol 111.66
    1,1-dichloroethane 254.43
    2-methyl-1-pentanol 142.98
    methyl formate 524.67
    2-methyl-1-butanol 179.55
    n-decane 19.73
    butyronitrile 380.12
    3,7-dimethyl-1-octanol 108.1
    1-chlorooctane 72.01
    1-chlorotetradecane 33.5
    n-nonane 18.77
    undecane 15.65
    tert-butylcyclohexane 19.82
    cyclooctane 12.3
    cyclopentanol 338.59
    tetrahydropyran 778.78
    tert-amyl methyl ether 155.15
    2,5,8-trioxanonane 348.8
    1-hexene 88.33
    2-isopropoxyethanol 197.35
    2,2,2-trifluoroethanol 147.75
    methyl butyrate 250.85

    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
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%