3-Ethyl-1,2-benzenediol

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  • Identifiers

    CAS number
    933-99-3

    Molecular formula
    C8H10O2

    SMILES
    CCC1=C(C(=CC=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 89.18%
    Smoky 71.69%
    Spicy 61.11%
    Medicinal 60.35%
    Burnt 58.76%
    Woody 43.43%
    Vanilla 42.96%
    Sweet 42.0%
    Balsamic 33.86%
    Leathery 32.36%

     

    Flavor
    Phenolic 81.2%
    Medicinal 60.22%
    Smoky 52.68%
    Sweet 52.31%
    Smoke 47.47%
    Phenol 46.68%
    Spicy 45.37%
    Bacon 43.84%
    Clove 40.36%
    Vanilla 38.38%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    11.14 (strong base)

    Molecular weight
    138.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    269°C

    Flash point

    • 120.25 ˚C est.

  • Synonyms

    • 3-ethylbenzene-1,2-diol
    • 933-99-3
    • 3-Ethylcatechol
    • 2,3-Dihydroxyethylbenzene
    • 3-Ethyl-benzene-1,2-diol
    • 3-ethyl-1,2-benzenediol
    • DQ69AC58EV
    • 1,2-Benzenediol, 3-ethyl-
    • CHEBI:16572
    • DTXSID10918521
    • RefChem:911305
    • DTXCID601347471
    • 876-167-6
    • 1,2-Benzenediol, ethyl-
    • MFCD21604516
    • Ethylpyrocatechol
    • 28930-20-3
    • 3-Ethyl-pyrocatechol
    • Benzenediol, ethyl-
    • 73229-71-7
    • UNII-DQ69AC58EV
    • Ethyl-Benzenediol
    • 3-Ethylpyrocatechol
    • SCHEMBL70065
    • SCHEMBL351697
    • 1,2-Dihydroxy-3-ethylbenzene
    • orb3023548
    • SCHEMBL6871801
    • SCHEMBL30023472
    • EINECS 249-318-3
    • AKOS016005334
    • DS-4012
    • SY105626
    • DB-339360
    • CS-0152558
    • NS00051105
    • C06728
    • C77203
    • EN300-1599487
    • F229509
    • Q27101979
    • 933-99-3

  • Applications

    3-Ethyl-1,2-benzenediol (CAS 933-99-3) is commonly used as an organic synthesis intermediate, providing a building block for the preparation of dyes, pigments, and various pharmaceutical or agrochemical intermediates. It may serve as a fragrance or odorant component in perfumery and cosmetic formulations, and as a reactive phenolic derivative in polymer and coating systems where it can contribute to stabilization or crosslinking. It is also used in the development of ink and paint formulations as a phenolic additive. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 889.89
    methanol 1214.67
    isopropanol 535.25
    water 5.81
    ethyl acetate 490.86
    n-propanol 584.3
    acetone 951.92
    n-butanol 360.78
    acetonitrile 704.21
    DMF 999.45
    toluene 51.74
    isobutanol 307.28
    1,4-dioxane 1784.94
    methyl acetate 647.54
    THF 1575.0
    2-butanone 563.75
    n-pentanol 284.83
    sec-butanol 328.63
    n-hexane 27.23
    ethylene glycol 274.46
    NMP 468.87
    cyclohexane 23.04
    DMSO 2083.22
    n-butyl acetate 403.75
    n-octanol 198.63
    chloroform 475.25
    n-propyl acetate 404.95
    acetic acid 519.33
    dichloromethane 532.76
    cyclohexanone 518.91
    propylene glycol 157.98
    isopropyl acetate 260.88
    DMAc 348.76
    2-ethoxyethanol 644.36
    isopentanol 261.44
    n-heptane 27.86
    ethyl formate 416.92
    1,2-dichloroethane 570.47
    n-hexanol 339.71
    2-methoxyethanol 937.02
    isobutyl acetate 211.66
    tetrachloromethane 103.97
    n-pentyl acetate 237.25
    transcutol 1104.06
    n-heptanol 199.13
    ethylbenzene 63.58
    MIBK 260.22
    2-propoxyethanol 641.54
    tert-butanol 674.04
    MTBE 552.04
    2-butoxyethanol 376.72
    propionic acid 431.32
    o-xylene 61.47
    formic acid 348.89
    diethyl ether 556.82
    m-xylene 64.88
    p-xylene 77.95
    chlorobenzene 146.79
    dimethyl carbonate 205.66
    n-octane 20.86
    formamide 771.37
    cyclopentanone 796.03
    2-pentanone 429.66
    anisole 240.41
    cyclopentyl methyl ether 357.27
    gamma-butyrolactone 1061.91
    1-methoxy-2-propanol 558.26
    pyridine 359.33
    3-pentanone 257.15
    furfural 585.86
    n-dodecane 18.76
    diethylene glycol 518.11
    diisopropyl ether 144.43
    tert-amyl alcohol 392.83
    acetylacetone 489.53
    n-hexadecane 21.01
    acetophenone 192.91
    methyl propionate 376.71
    isopentyl acetate 305.42
    trichloroethylene 746.69
    n-nonanol 169.44
    cyclohexanol 177.81
    benzyl alcohol 158.98
    2-ethylhexanol 159.45
    isooctanol 162.27
    dipropyl ether 213.62
    1,2-dichlorobenzene 147.06
    ethyl lactate 159.15
    propylene carbonate 399.68
    n-methylformamide 836.08
    2-pentanol 223.7
    n-pentane 22.49
    1-propoxy-2-propanol 366.34
    1-methoxy-2-propyl acetate 308.22
    2-(2-methoxypropoxy) propanol 235.61
    mesitylene 58.41
    ε-caprolactone 440.72
    p-cymene 56.38
    epichlorohydrin 1177.96
    1,1,1-trichloroethane 346.99
    2-aminoethanol 406.98
    morpholine-4-carbaldehyde 716.9
    sulfolane 1230.56
    2,2,4-trimethylpentane 21.5
    2-methyltetrahydrofuran 732.87
    n-hexyl acetate 320.14
    isooctane 25.56
    2-(2-butoxyethoxy)ethanol 435.14
    sec-butyl acetate 196.67
    tert-butyl acetate 359.67
    decalin 22.05
    glycerin 268.66
    diglyme 766.4
    acrylic acid 349.87
    isopropyl myristate 125.74
    n-butyric acid 425.81
    acetyl acetate 215.01
    di(2-ethylhexyl) phthalate 86.84
    ethyl propionate 269.04
    nitromethane 1288.84
    1,2-diethoxyethane 488.61
    benzonitrile 187.08
    trioctyl phosphate 96.22
    1-bromopropane 218.11
    gamma-valerolactone 945.6
    n-decanol 132.67
    triethyl phosphate 97.64
    4-methyl-2-pentanol 144.66
    propionitrile 417.42
    vinylene carbonate 348.65
    1,1,2-trichlorotrifluoroethane 475.08
    DMS 216.92
    cumene 58.9
    2-octanol 149.05
    2-hexanone 354.31
    octyl acetate 166.74
    limonene 76.07
    1,2-dimethoxyethane 1043.22
    ethyl orthosilicate 95.14
    tributyl phosphate 101.79
    diacetone alcohol 387.59
    N,N-dimethylaniline 133.06
    acrylonitrile 541.1
    aniline 124.56
    1,3-propanediol 523.85
    bromobenzene 129.25
    dibromomethane 335.78
    1,1,2,2-tetrachloroethane 515.04
    2-methyl-cyclohexyl acetate 149.32
    tetrabutyl urea 117.96
    diisobutyl methanol 112.0
    2-phenylethanol 199.01
    styrene 74.77
    dioctyl adipate 140.52
    dimethyl sulfate 338.29
    ethyl butyrate 225.1
    methyl lactate 194.68
    butyl lactate 163.43
    diethyl carbonate 143.2
    propanediol butyl ether 283.19
    triethyl orthoformate 139.03
    p-tert-butyltoluene 62.01
    methyl 4-tert-butylbenzoate 196.76
    morpholine 1256.58
    tert-butylamine 322.72
    n-dodecanol 101.94
    dimethoxymethane 805.24
    ethylene carbonate 318.15
    cyrene 201.87
    2-ethoxyethyl acetate 340.35
    2-ethylhexyl acetate 205.17
    1,2,4-trichlorobenzene 166.59
    4-methylpyridine 249.28
    dibutyl ether 192.58
    2,6-dimethyl-4-heptanol 112.0
    DEF 364.97
    dimethyl isosorbide 403.43
    tetrachloroethylene 385.61
    eugenol 218.32
    triacetin 200.63
    span 80 198.7
    1,4-butanediol 223.98
    1,1-dichloroethane 435.34
    2-methyl-1-pentanol 196.35
    methyl formate 685.78
    2-methyl-1-butanol 219.47
    n-decane 29.49
    butyronitrile 351.44
    3,7-dimethyl-1-octanol 149.83
    1-chlorooctane 111.35
    1-chlorotetradecane 49.05
    n-nonane 28.31
    undecane 23.27
    tert-butylcyclohexane 28.81
    cyclooctane 12.87
    cyclopentanol 289.95
    tetrahydropyran 785.17
    tert-amyl methyl ether 274.68
    2,5,8-trioxanonane 472.58
    1-hexene 107.17
    2-isopropoxyethanol 398.4
    2,2,2-trifluoroethanol 222.43
    methyl butyrate 370.78

    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