4-Hydroxy-3-methylacetophenone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    876-02-8

    Molecular formula
    C9H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 89.84%
    Phenolic 65.37%
    Vanilla 63.42%
    Floral 55.37%
    Hawthorn 52.19%
    Powdery 51.6%
    Hay 50.83%
    Balsamic 48.17%
    Coumarinic 47.63%
    Cherry 44.65%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    9.5 (weak base)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    284°C

    Flash point est.
    124.04 ˚C

  • Synonyms

    • 4'-Hydroxy-3'-methylacetophenone
    • 876-02-8
    • 1-(4-Hydroxy-3-methylphenyl)ethanone
    • 4-Hydroxy-3-methylacetophenone
    • 1-(4-hydroxy-3-methylphenyl)ethan-1-one
    • 4-Acetyl-2-methylphenol
    • 2-methyl-4-acetylphenol
    • YHR7Q24SCD
    • Ethanone, 1-(4-hydroxy-3-methylphenyl)-
    • MFCD00002231
    • 1-(3-methyl-4-hydroxyphenyl)ethanone
    • 1-(4-hydroxy-3-methyl-phenyl)ethanone
    • 3'-methyl-4'-hydroxyacetophenone
    • EINECS 212-880-5
    • NSC-63365
    • DTXSID60236500
    • NSC 63365
    • 1-(4-hydroxy-3-methyl-phenyl)-ethanone
    • NSC63365
    • 1-acetyl-4-hydroxy-3-methylbenzene
    • UNII-YHR7Q24SCD
    • SCHEMBL172723
    • CHEMBL375739
    • DTXCID20158991
    • CHEBI:166495
    • 4'-hydroxy-3'-methyl-acetophenone
    • (4 hydroxy-3-methylphenyl)-ethanone
    • 4\'-Hydroxy-3\'-methylacetophenone
    • STK810179
    • AKOS002166499
    • 1-(3-methyl-4-hydroxylphenyl)ethanone
    • CS-W001663
    • FH54824
    • FS-1803
    • HY-W001663
    • 1-(4-hydroxy-3-methylphenyl)-ethanone
    • 4'-Hydroxy-3'-methylacetophenone, 97%
    • NCGC00327171-01
    • 1-(4-Hydroxy-3-methylphenyl)ethanone #
    • BP-12463
    • PD166613
    • SY018355
    • H0791
    • NS00039206
    • EN300-68490
    • I11065
    • AB01321584-02
    • AO-800/41069724
    • Ethanone, 1-?(4-?hydroxy-?3-?methylphenyl)?-
    • Q27467822
    • Z57221419
    • 4-Acetyl-2-methylphenol;1-Acetyl-4-hydroxy-3-methylbenzene
    • 4 inverted exclamation mark -Hydroxy-3 inverted exclamation mark -methylacetophenone
    • 4 inverted exclamation marka-Hydroxy-3 inverted exclamation marka-methylacetophenone
    • 212-880-5
    • YTP

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 509.3
    methanol 527.64
    isopropanol 465.39
    water 9.07
    ethyl acetate 393.81
    n-propanol 398.43
    acetone 798.83
    n-butanol 303.25
    acetonitrile 696.23
    DMF 1028.31
    toluene 105.87
    isobutanol 268.68
    1,4-dioxane 972.13
    methyl acetate 582.73
    THF 857.99
    2-butanone 573.84
    n-pentanol 191.49
    sec-butanol 330.04
    n-hexane 15.62
    ethylene glycol 153.14
    NMP 521.22
    cyclohexane 15.5
    DMSO 653.57
    n-butyl acetate 172.39
    n-octanol 144.84
    chloroform 493.02
    n-propyl acetate 193.5
    acetic acid 277.92
    dichloromethane 716.83
    cyclohexanone 428.8
    propylene glycol 175.0
    isopropyl acetate 181.33
    DMAc 623.32
    2-ethoxyethanol 351.7
    isopentanol 206.39
    n-heptane 21.89
    ethyl formate 342.21
    1,2-dichloroethane 389.54
    n-hexanol 203.18
    2-methoxyethanol 564.05
    isobutyl acetate 105.76
    tetrachloromethane 84.91
    n-pentyl acetate 131.91
    transcutol 492.43
    n-heptanol 128.57
    ethylbenzene 83.77
    MIBK 173.57
    2-propoxyethanol 339.34
    tert-butanol 550.58
    MTBE 351.89
    2-butoxyethanol 199.64
    propionic acid 288.95
    o-xylene 95.52
    formic acid 155.04
    diethyl ether 328.87
    m-xylene 94.88
    p-xylene 111.77
    chlorobenzene 140.02
    dimethyl carbonate 168.07
    n-octane 14.45
    formamide 418.36
    cyclopentanone 664.59
    2-pentanone 330.66
    anisole 240.88
    cyclopentyl methyl ether 262.36
    gamma-butyrolactone 704.33
    1-methoxy-2-propanol 385.58
    pyridine 307.77
    3-pentanone 234.98
    furfural 454.06
    n-dodecane 15.58
    diethylene glycol 279.74
    diisopropyl ether 77.56
    tert-amyl alcohol 361.95
    acetylacetone 346.82
    n-hexadecane 17.13
    acetophenone 189.54
    methyl propionate 326.25
    isopentyl acetate 148.23
    trichloroethylene 568.29
    n-nonanol 121.09
    cyclohexanol 177.72
    benzyl alcohol 163.44
    2-ethylhexanol 113.06
    isooctanol 101.9
    dipropyl ether 140.81
    1,2-dichlorobenzene 134.08
    ethyl lactate 102.61
    propylene carbonate 296.75
    n-methylformamide 569.67
    2-pentanol 184.68
    n-pentane 16.31
    1-propoxy-2-propanol 206.29
    1-methoxy-2-propyl acetate 179.42
    2-(2-methoxypropoxy) propanol 178.25
    mesitylene 59.33
    ε-caprolactone 327.01
    p-cymene 57.98
    epichlorohydrin 768.41
    1,1,1-trichloroethane 308.68
    2-aminoethanol 250.08
    morpholine-4-carbaldehyde 639.54
    sulfolane 609.7
    2,2,4-trimethylpentane 16.57
    2-methyltetrahydrofuran 477.34
    n-hexyl acetate 197.97
    isooctane 13.56
    2-(2-butoxyethoxy)ethanol 239.9
    sec-butyl acetate 117.89
    tert-butyl acetate 191.9
    decalin 17.47
    glycerin 204.5
    diglyme 451.18
    acrylic acid 225.94
    isopropyl myristate 89.08
    n-butyric acid 264.44
    acetyl acetate 193.49
    di(2-ethylhexyl) phthalate 77.75
    ethyl propionate 164.6
    nitromethane 766.97
    1,2-diethoxyethane 226.85
    benzonitrile 190.42
    trioctyl phosphate 67.37
    1-bromopropane 209.06
    gamma-valerolactone 706.25
    n-decanol 95.78
    triethyl phosphate 76.69
    4-methyl-2-pentanol 106.57
    propionitrile 372.46
    vinylene carbonate 294.64
    1,1,2-trichlorotrifluoroethane 294.14
    DMS 160.63
    cumene 63.31
    2-octanol 99.53
    2-hexanone 218.37
    octyl acetate 117.26
    limonene 78.8
    1,2-dimethoxyethane 566.76
    ethyl orthosilicate 70.68
    tributyl phosphate 71.86
    diacetone alcohol 246.7
    N,N-dimethylaniline 147.44
    acrylonitrile 442.19
    aniline 159.82
    1,3-propanediol 315.28
    bromobenzene 123.09
    dibromomethane 372.21
    1,1,2,2-tetrachloroethane 372.8
    2-methyl-cyclohexyl acetate 117.37
    tetrabutyl urea 97.14
    diisobutyl methanol 76.89
    2-phenylethanol 154.95
    styrene 94.11
    dioctyl adipate 109.2
    dimethyl sulfate 238.77
    ethyl butyrate 148.71
    methyl lactate 144.11
    butyl lactate 97.91
    diethyl carbonate 104.15
    propanediol butyl ether 165.56
    triethyl orthoformate 92.43
    p-tert-butyltoluene 57.95
    methyl 4-tert-butylbenzoate 165.56
    morpholine 758.67
    tert-butylamine 297.78
    n-dodecanol 75.7
    dimethoxymethane 557.91
    ethylene carbonate 249.88
    cyrene 190.72
    2-ethoxyethyl acetate 190.44
    2-ethylhexyl acetate 108.75
    1,2,4-trichlorobenzene 160.19
    4-methylpyridine 309.47
    dibutyl ether 136.79
    2,6-dimethyl-4-heptanol 76.89
    DEF 321.66
    dimethyl isosorbide 283.8
    tetrachloroethylene 225.91
    eugenol 163.16
    triacetin 181.08
    span 80 139.71
    1,4-butanediol 132.93
    1,1-dichloroethane 429.96
    2-methyl-1-pentanol 153.14
    methyl formate 502.39
    2-methyl-1-butanol 202.56
    n-decane 23.95
    butyronitrile 318.63
    3,7-dimethyl-1-octanol 113.94
    1-chlorooctane 84.86
    1-chlorotetradecane 37.62
    n-nonane 21.85
    undecane 19.12
    tert-butylcyclohexane 20.66
    cyclooctane 7.85
    cyclopentanol 260.79
    tetrahydropyran 465.14
    tert-amyl methyl ether 204.95
    2,5,8-trioxanonane 294.9
    1-hexene 73.58
    2-isopropoxyethanol 230.74
    2,2,2-trifluoroethanol 159.61
    methyl butyrate 222.68

    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
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.02%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.03%
Niaouli (India) Melaleuca quinquenervia (Cav.) S.T. Blake, fam. Myrtaceae 0.05%