3-Hydroxyacetophenone

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  • Identifiers

    CAS number
    121-71-1

    Molecular formula
    C8H8O2

    SMILES
    CC(=O)C1=CC(=CC=C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 85.93%
    Floral 63.93%
    Phenolic 61.52%
    Vanilla 55.79%
    Hawthorn 54.49%
    Powdery 51.16%
    Woody 51.02%
    Balsamic 50.7%
    Hay 50.54%
    Coumarinic 47.13%

     

    Flavor
    Sweet 78.5%
    Phenolic 55.52%
    Hawthorn 52.8%
    Woody 42.19%
    Nutty 39.93%
    Balsam 38.6%
    Almond 38.57%
    Vanilla 38.16%
    Mimosa 37.47%
    Powdery 36.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    9.3 (weak base)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 115.05 ˚C est.

  • Synonyms

    • 3'-Hydroxyacetophenone
    • 121-71-1
    • 3-Hydroxyacetophenone
    • 3-ACETYLPHENOL
    • Acetophenone, 3'-hydroxy-
    • UV3GO1D90J
    • NSC-2440
    • DTXSID5059533
    • RefChem:90427
    • DTXCID0033679
    • 204-494-0
    • 1-(3-Hydroxyphenyl)ethanone
    • m-Hydroxyacetophenone
    • 1-(3-Hydroxyphenyl)ethan-1-one
    • m-Acetylphenol
    • Ethanone, 1-(3-hydroxyphenyl)-
    • 3-hydroxy acetophenone
    • MFCD00002298
    • NSC 2440
    • 3-HYDROXY-ACETOPHENONE
    • 3-Hydroxyphenyl Methyl Ketone
    • 1-(3-Hydroxy-phenyl)-ethanone
    • 1-(3-Hydroxyphenyl)ethanone (3-Hydroxyacetophenone)
    • 1-acetyl-3-hydroxybenzene
    • 3-Acetophenol
    • UNII-UV3GO1D90J
    • 3-ethanoylphenol
    • NSC2440
    • 53C
    • Etilefrine Hydrochloride Imp. E (EP); Etilefrine Imp. E (EP); 1-(3-Hydroxyphenyl)ethanone; 3-Hydroxyacetophenone; Etilefrine Hydrochloride Impurity E; Etilefrine Impurity E
    • EINECS 204-494-0
    • 3-hydroxyphenylethanone
    • 3`-Hydroxyacetophenone
    • Rivastigmine Impurity 4
    • 3'-hydroxy-acetophenone
    • 3\'-Hydroxyacetophenone
    • Acetaminophen Impurity I
    • AI3-14650
    • acetophenone, m-hydroxy-
    • acetophenone, 3-hydroxy-
    • Etilefrine EP Impurity E
    • SCHEMBL42942
    • 1-(3-hydroxyphenyl) ethanone
    • 1-(3-hydroxyphenyl)-ethanone
    • 3'-Hydroxyacetophenone, 97%
    • CHEMBL404719
    • orb1705666
    • SCHEMBL1538653
    • SCHEMBL2642425
    • SCHEMBL3950723
    • SCHEMBL22207455
    • SCHEMBL27383798
    • SCHEMBL29720106
    • 3'-Hydroxyacetophenone, >=99%
    • BB_SC-07222
    • HY-Y0603
    • STR01113
    • BBL010535
    • SBB040280
    • STL146197
    • AKOS000120755
    • AC-3238
    • EBC-152168
    • Etilefrine Hydrochloride EP Impurity E
    • FH67676
    • MSK168524-100A
    • PS-3431
    • MSK168524-1000A
    • BP-13222
    • SY004849
    • DB-030053
    • A0104
    • CS-0015375
    • NS00023974
    • ST50213457
    • EN300-20956
    • 3 inverted exclamation mark -Hydroxyacetophenone
    • AE-562/41047023
    • F078748
    • Q15410155
    • ETILEFRINE HYDROCHLORIDE IMPURITY E [EP IMPURITY]
    • F0001-0349
    • Z104485446
    • 3-Hydroxyacetophenone Solution in Acetonitrile, 1000ug/mL
    • 3-Hydroxyacetophenone Solution in Acetonitrile, 100ug/mL
    • InChI=1/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H
    • 121-71-1

  • Applications

    3-Hydroxyacetophenone (CAS 121-71-1) is primarily used as an intermediate in the synthesis of aroma compounds and fragrances, serving as a building block for fragrance materials in perfumery and cosmetics. It is commonly evaluated as a precursor for pharmaceutical synthesis and for specialty polymers, and it can act as a precursor for certain dye and pigment chemistries as well as for coating/ink formulations. Its phenolic functionality allows for derivatization to additional intermediates used in other industrial sectors; however, specific applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 620.06
    methanol 820.96
    isopropanol 515.07
    water 9.89
    ethyl acetate 323.36
    n-propanol 453.39
    acetone 551.17
    n-butanol 335.89
    acetonitrile 322.88
    DMF 1113.38
    toluene 44.01
    isobutanol 288.88
    1,4-dioxane 659.58
    methyl acetate 434.94
    THF 834.73
    2-butanone 391.52
    n-pentanol 224.49
    sec-butanol 352.1
    n-hexane 13.11
    ethylene glycol 269.71
    NMP 346.54
    cyclohexane 4.1
    DMSO 878.49
    n-butyl acetate 97.14
    n-octanol 118.19
    chloroform 241.21
    n-propyl acetate 131.42
    acetic acid 178.59
    dichloromethane 250.91
    cyclohexanone 236.26
    propylene glycol 231.4
    isopropyl acetate 133.47
    DMAc 661.53
    2-ethoxyethanol 459.59
    isopentanol 217.07
    n-heptane 10.3
    ethyl formate 234.0
    1,2-dichloroethane 196.4
    n-hexanol 198.78
    2-methoxyethanol 802.13
    isobutyl acetate 79.7
    tetrachloromethane 43.46
    n-pentyl acetate 78.77
    transcutol 436.52
    n-heptanol 105.89
    ethylbenzene 45.48
    MIBK 144.28
    2-propoxyethanol 387.81
    tert-butanol 444.4
    MTBE 240.21
    2-butoxyethanol 206.87
    propionic acid 234.6
    o-xylene 42.87
    formic acid 160.48
    diethyl ether 238.3
    m-xylene 46.8
    p-xylene 54.67
    chlorobenzene 65.61
    dimethyl carbonate 157.08
    n-octane 7.87
    formamide 298.91
    cyclopentanone 419.82
    2-pentanone 270.3
    anisole 181.04
    cyclopentyl methyl ether 221.88
    gamma-butyrolactone 426.07
    1-methoxy-2-propanol 541.58
    pyridine 159.35
    3-pentanone 172.83
    furfural 291.55
    n-dodecane 9.01
    diethylene glycol 403.97
    diisopropyl ether 50.88
    tert-amyl alcohol 308.57
    acetylacetone 265.46
    n-hexadecane 9.79
    acetophenone 120.73
    methyl propionate 288.66
    isopentyl acetate 86.54
    trichloroethylene 252.95
    n-nonanol 96.84
    cyclohexanol 147.99
    benzyl alcohol 123.65
    2-ethylhexanol 87.68
    isooctanol 82.17
    dipropyl ether 84.57
    1,2-dichlorobenzene 68.99
    ethyl lactate 98.07
    propylene carbonate 168.68
    n-methylformamide 541.78
    2-pentanol 196.69
    n-pentane 8.8
    1-propoxy-2-propanol 195.04
    1-methoxy-2-propyl acetate 146.23
    2-(2-methoxypropoxy) propanol 143.56
    mesitylene 30.44
    ε-caprolactone 193.8
    p-cymene 29.79
    epichlorohydrin 512.47
    1,1,1-trichloroethane 144.66
    2-aminoethanol 381.01
    morpholine-4-carbaldehyde 511.58
    sulfolane 400.03
    2,2,4-trimethylpentane 8.53
    2-methyltetrahydrofuran 365.63
    n-hexyl acetate 124.96
    isooctane 8.42
    2-(2-butoxyethoxy)ethanol 211.49
    sec-butyl acetate 83.47
    tert-butyl acetate 136.48
    decalin 9.73
    glycerin 303.37
    diglyme 368.36
    acrylic acid 174.58
    isopropyl myristate 51.18
    n-butyric acid 216.56
    acetyl acetate 120.33
    di(2-ethylhexyl) phthalate 46.99
    ethyl propionate 134.42
    nitromethane 481.63
    1,2-diethoxyethane 137.65
    benzonitrile 105.72
    trioctyl phosphate 44.01
    1-bromopropane 112.04
    gamma-valerolactone 461.09
    n-decanol 75.96
    triethyl phosphate 49.88
    4-methyl-2-pentanol 100.09
    propionitrile 240.91
    vinylene carbonate 153.92
    1,1,2-trichlorotrifluoroethane 268.39
    DMS 109.74
    cumene 37.88
    2-octanol 78.49
    2-hexanone 162.09
    octyl acetate 67.88
    limonene 39.31
    1,2-dimethoxyethane 541.83
    ethyl orthosilicate 48.05
    tributyl phosphate 44.86
    diacetone alcohol 223.67
    N,N-dimethylaniline 110.09
    acrylonitrile 289.03
    aniline 100.82
    1,3-propanediol 452.11
    bromobenzene 55.03
    dibromomethane 142.92
    1,1,2,2-tetrachloroethane 213.57
    2-methyl-cyclohexyl acetate 63.6
    tetrabutyl urea 63.84
    diisobutyl methanol 53.2
    2-phenylethanol 119.52
    styrene 52.71
    dioctyl adipate 64.97
    dimethyl sulfate 260.06
    ethyl butyrate 78.32
    methyl lactate 178.09
    butyl lactate 72.43
    diethyl carbonate 56.19
    propanediol butyl ether 177.94
    triethyl orthoformate 56.27
    p-tert-butyltoluene 32.02
    methyl 4-tert-butylbenzoate 109.35
    morpholine 614.32
    tert-butylamine 206.07
    n-dodecanol 58.84
    dimethoxymethane 562.73
    ethylene carbonate 129.98
    cyrene 139.89
    2-ethoxyethyl acetate 116.58
    2-ethylhexyl acetate 63.62
    1,2,4-trichlorobenzene 78.31
    4-methylpyridine 180.98
    dibutyl ether 84.52
    2,6-dimethyl-4-heptanol 53.2
    DEF 285.33
    dimethyl isosorbide 188.96
    tetrachloroethylene 128.32
    eugenol 129.92
    triacetin 95.38
    span 80 108.35
    1,4-butanediol 204.99
    1,1-dichloroethane 205.16
    2-methyl-1-pentanol 149.3
    methyl formate 398.47
    2-methyl-1-butanol 224.87
    n-decane 13.82
    butyronitrile 209.56
    3,7-dimethyl-1-octanol 88.25
    1-chlorooctane 57.39
    1-chlorotetradecane 24.47
    n-nonane 13.14
    undecane 10.93
    tert-butylcyclohexane 13.54
    cyclooctane 2.98
    cyclopentanol 212.74
    tetrahydropyran 307.64
    tert-amyl methyl ether 158.74
    2,5,8-trioxanonane 243.08
    1-hexene 61.14
    2-isopropoxyethanol 272.66
    2,2,2-trifluoroethanol 119.49
    methyl butyrate 170.41

    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