2',3'-Dihydroxyacetophenone

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  • Identifiers

    CAS number
    13494-10-5

    Molecular formula
    C8H8O3

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 69.33%
    Sweet 63.32%
    Vanilla 63.23%
    Balsamic 50.91%
    Spicy 47.98%
    Burnt 44.26%
    Creamy 41.77%
    Smoky 40.85%
    Caramellic 37.52%
    Medicinal 37.27%

     

    Flavor
    Sweet 75.38%
    Phenolic 55.13%
    Vanilla 38.93%
    Hawthorn 35.35%
    Powdery 35.07%
    Bitter 34.19%
    Mild 33.29%
    Creamy 31.07%
    Woody 30.77%
    Dry 29.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    10.25 (weak base)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    323°C

    Melting point expt.

    • 97 - 98 °C

    Flash point

    • 133.09 ˚C est.

    Solubility expt.

    • (3,4-isomer) insoluble to slightly soluble in water; (2,5-isomer) slightly soluble in water; (3,5-isomer) soluble in water
    • moderately soluble (in ethanol)

  • Synonyms

    • 1-(2,3-dihydroxyphenyl)ethanone
    • 13494-10-5
    • 2',3'-DIHYDROXYACETOPHENONE
    • 2,3-dihydroxyacetophenone
    • 3-Acetyl-1,2-benzenediol
    • 1-(2,3-dihydroxyphenyl)ethan-1-one
    • Acetophenone, dihydroxy-
    • Dihydroxyacetophenone, 2,3-
    • Ethanone, 1-(2,3-dihydroxyphenyl)-
    • FEMA No. 3662
    • Acetophenone, 2',3'-dihydroxy-
    • UNII-65328I5OQP
    • Ethanone, 1-(dihydroxyphenyl)-
    • 65328I5OQP
    • DTXSID40159147
    • DIHYDROXYACETOPHENONE [FHFI]
    • 28604-78-6
    • dihydroxyacetophenones
    • RefChem:80056
    • DTXCID0081638
    • CHEBI:23776
    • 1-(x,y-Dihydroxyphenyl) ethanone
    • 28631-86-9
    • Dihydroxyacetophenone
    • HEJLFBLJYFSKCE-UHFFFAOYSA-N
    • MFCD03424392
    • 2',3'-Dihydroxy-acetophenone
    • 3-Acetylcatechol
    • 1-(2,3-Dihydroxyphenyl)ethanone; 3-Acetyl-1,2-benzenediol;
    • mono acetyl catechol
    • SCHEMBL340247
    • acetophenone, 2,3-dihydroxy-
    • SCHEMBL29645390
    • CHEBI:173643
    • 1-(2,3-dihydroxy-phenyl)-ethanone
    • AKOS006279187
    • 1-(2,3-Dihydroxyphenyl)ethanone, 9CI
    • DS-12448
    • SY102314
    • CS-0155145
    • EN300-101409
    • O10249
    • F093041
    • Q27263817
    • Z1198162545
    • 28631-86-9

  • Applications

    2',3'-Dihydroxyacetophenone (CAS 13494-10-5) is used as an aromatic building block in fragrance chemistry, serving as a fragrance ingredient or precursor to other scent compounds. In cosmetics and personal care, it can be employed as a fragrance-related ingredient or intermediate in formulations. In the pharmaceutical sector, it is used as a synthetic intermediate for the preparation of pharmaceutical compounds. In polymers, coatings, and inks, it can act as a precursor for dyes and pigments and as a platform for functional additives in polymer formulations. In chemical research and development, it is used as an intermediate for route development and as a reference material for analytical work.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 232.71
    methanol 330.26
    isopropanol 164.0
    water 9.13
    ethyl acetate 127.53
    n-propanol 167.18
    acetone 303.57
    n-butanol 119.36
    acetonitrile 132.88
    DMF 717.37
    toluene 13.39
    isobutanol 94.86
    1,4-dioxane 527.95
    methyl acetate 157.79
    THF 1077.89
    2-butanone 172.34
    n-pentanol 106.56
    sec-butanol 122.75
    n-hexane 8.1
    ethylene glycol 200.98
    NMP 239.14
    cyclohexane 2.67
    DMSO 1086.58
    n-butyl acetate 69.8
    n-octanol 74.43
    chloroform 65.3
    n-propyl acetate 88.12
    acetic acid 93.8
    dichloromethane 78.63
    cyclohexanone 130.11
    propylene glycol 93.45
    isopropyl acetate 73.87
    DMAc 316.77
    2-ethoxyethanol 295.58
    isopentanol 90.25
    n-heptane 8.12
    ethyl formate 98.37
    1,2-dichloroethane 105.43
    n-hexanol 106.1
    2-methoxyethanol 452.64
    isobutyl acetate 43.87
    tetrachloromethane 19.22
    n-pentyl acetate 54.88
    transcutol 221.62
    n-heptanol 70.8
    ethylbenzene 20.2
    MIBK 99.51
    2-propoxyethanol 237.58
    tert-butanol 247.91
    MTBE 139.85
    2-butoxyethanol 133.37
    propionic acid 87.64
    o-xylene 19.98
    formic acid 121.48
    diethyl ether 139.77
    m-xylene 22.48
    p-xylene 23.33
    chlorobenzene 24.03
    dimethyl carbonate 95.64
    n-octane 6.24
    formamide 235.44
    cyclopentanone 321.28
    2-pentanone 145.92
    anisole 86.05
    cyclopentyl methyl ether 167.89
    gamma-butyrolactone 366.42
    1-methoxy-2-propanol 283.62
    pyridine 72.81
    3-pentanone 94.92
    furfural 185.8
    n-dodecane 6.46
    diethylene glycol 281.57
    diisopropyl ether 41.47
    tert-amyl alcohol 159.45
    acetylacetone 171.75
    n-hexadecane 7.02
    acetophenone 65.5
    methyl propionate 128.13
    isopentyl acetate 57.05
    trichloroethylene 108.5
    n-nonanol 65.08
    cyclohexanol 69.31
    benzyl alcohol 63.26
    2-ethylhexanol 55.18
    isooctanol 55.47
    dipropyl ether 67.71
    1,2-dichlorobenzene 31.28
    ethyl lactate 70.08
    propylene carbonate 109.1
    n-methylformamide 315.26
    2-pentanol 86.02
    n-pentane 5.94
    1-propoxy-2-propanol 132.47
    1-methoxy-2-propyl acetate 92.72
    2-(2-methoxypropoxy) propanol 92.05
    mesitylene 19.28
    ε-caprolactone 111.56
    p-cymene 19.46
    epichlorohydrin 396.61
    1,1,1-trichloroethane 57.62
    2-aminoethanol 205.69
    morpholine-4-carbaldehyde 302.84
    sulfolane 432.4
    2,2,4-trimethylpentane 6.5
    2-methyltetrahydrofuran 267.7
    n-hexyl acetate 78.26
    isooctane 6.75
    2-(2-butoxyethoxy)ethanol 138.26
    sec-butyl acetate 54.3
    tert-butyl acetate 104.25
    decalin 6.25
    glycerin 180.88
    diglyme 242.33
    acrylic acid 76.94
    isopropyl myristate 39.9
    n-butyric acid 93.69
    acetyl acetate 57.26
    di(2-ethylhexyl) phthalate 31.7
    ethyl propionate 83.64
    nitromethane 289.99
    1,2-diethoxyethane 84.42
    benzonitrile 48.22
    trioctyl phosphate 34.8
    1-bromopropane 49.99
    gamma-valerolactone 301.35
    n-decanol 51.52
    triethyl phosphate 39.87
    4-methyl-2-pentanol 58.77
    propionitrile 96.17
    vinylene carbonate 82.62
    1,1,2-trichlorotrifluoroethane 161.62
    DMS 61.37
    cumene 20.05
    2-octanol 52.59
    2-hexanone 106.18
    octyl acetate 51.92
    limonene 26.88
    1,2-dimethoxyethane 379.24
    ethyl orthosilicate 37.53
    tributyl phosphate 32.55
    diacetone alcohol 154.81
    N,N-dimethylaniline 63.32
    acrylonitrile 121.25
    aniline 37.75
    1,3-propanediol 226.14
    bromobenzene 17.99
    dibromomethane 50.35
    1,1,2,2-tetrachloroethane 100.63
    2-methyl-cyclohexyl acetate 46.51
    tetrabutyl urea 45.23
    diisobutyl methanol 42.02
    2-phenylethanol 69.09
    styrene 20.48
    dioctyl adipate 47.21
    dimethyl sulfate 194.55
    ethyl butyrate 61.09
    methyl lactate 102.6
    butyl lactate 47.0
    diethyl carbonate 41.11
    propanediol butyl ether 102.56
    triethyl orthoformate 43.78
    p-tert-butyltoluene 21.65
    methyl 4-tert-butylbenzoate 75.19
    morpholine 432.78
    tert-butylamine 108.41
    n-dodecanol 40.49
    dimethoxymethane 418.8
    ethylene carbonate 73.19
    cyrene 98.68
    2-ethoxyethyl acetate 71.39
    2-ethylhexyl acetate 42.67
    1,2,4-trichlorobenzene 34.96
    4-methylpyridine 67.34
    dibutyl ether 53.12
    2,6-dimethyl-4-heptanol 42.02
    DEF 156.89
    dimethyl isosorbide 141.91
    tetrachloroethylene 68.94
    eugenol 85.07
    triacetin 59.85
    span 80 70.3
    1,4-butanediol 123.34
    1,1-dichloroethane 70.46
    2-methyl-1-pentanol 76.59
    methyl formate 249.44
    2-methyl-1-butanol 81.07
    n-decane 10.04
    butyronitrile 90.51
    3,7-dimethyl-1-octanol 52.11
    1-chlorooctane 36.83
    1-chlorotetradecane 16.2
    n-nonane 9.38
    undecane 7.94
    tert-butylcyclohexane 8.07
    cyclooctane 2.5
    cyclopentanol 125.28
    tetrahydropyran 211.45
    tert-amyl methyl ether 97.38
    2,5,8-trioxanonane 167.3
    1-hexene 30.4
    2-isopropoxyethanol 167.21
    2,2,2-trifluoroethanol 73.47
    methyl butyrate 106.72

    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