Hydrothymoquinone

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  • Identifiers

    CAS number
    2217-60-9

    Molecular formula
    C10H14O2

    SMILES
    CC1=CC(=C(C=C1O)C(C)C)O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1553.0

  • Odor profile

    Phenolic 86.71%
    Smoky 65.95%
    Spicy 64.4%
    Medicinal 60.68%
    Woody 53.82%
    Burnt 48.04%
    Leathery 42.86%
    Sweet 34.48%
    Dry 29.22%
    Balsamic 28.43%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    301°C

    Flash point est.
    142.28 ˚C

  • Synonyms

    • Thymohydroquinone
    • 2217-60-9
    • Hydrothymoquinone
    • Thymoquinol
    • p-Cymene-2,5-diol
    • 2-methyl-5-propan-2-ylbenzene-1,4-diol
    • 1,4-Benzenediol, 2-methyl-5-(1-methylethyl)-
    • 2-Methyl-5-isopropylhydroquinone
    • Hydroquinone, 5-isopropyl-2-methyl-
    • NSC 34803
    • 2-ISOPROPYL-5-METHYLBENZENE-1,4-DIOL
    • 2-hydroxythymol
    • 1C2ICM1R8V
    • BRN 2084452
    • 2,5-DIHYDROXY-P-CYMENE
    • 2-methyl-5-(propan-2-yl)benzene-1,4-diol
    • 2-methyl-5-(1-methylethyl)-1,4-benzenediol
    • NSC-34803
    • 2-isopropyl-5-methylhydroquinone
    • DTXSID70176706
    • 4-HYDROXY-5-ISOPROPYL-2-METHYLPHENOL
    • Thymohydrochinon
    • Thymohydroquinone (I)
    • UNII-1C2ICM1R8V
    • SCHEMBL69082
    • p-Cymene-2,5-diol (8CI)
    • CHEMBL4204349
    • DTXCID1099197
    • WLN: QR DQ B1 EY1&1
    • NSC34803
    • 1, 2-methyl-5-(1-methylethyl)-
    • AKOS006274324
    • HY-W196368
    • 2-isopropyl-5-methyl-benzene-1,4-diol
    • DA-58560
    • TS-08837
    • CS-0259073
    • NS00115982
    • EN300-722422
    • G89072
    • Z1198148655
    • 845-524-8
    • 9J9
    • IMW

  • Applications

    Hydrothymoquinone (CAS 2217-60-9) is a thymo-derived hydroquinone that functions as a reducing agent and efficient radical scavenger; in pharmacological research it is investigated as a potential antioxidant, anti-inflammatory, and antimicrobial agent and as a metabolite/scaffold for designing new derivatives; in synthetic chemistry it serves as an intermediate for preparing phenolic ethers/esters and oxidatively accessible quinone derivatives, and as a protecting or reducing component in reaction sequences; in electrochemistry and analysis its reversible hydroquinone/quinone couple enables use as an electron-transfer mediator, a redox probe for sensor calibration, and a tool for probing antioxidant mechanisms (e.g., DPPH, ABTS, lipid peroxidation models); in materials and industrial contexts it is evaluated as an antioxidant stabilizer and radical inhibitor for polymers, rubbers, easily polymerizable monomers, fuels, and lubricants to curb discoloration and property loss; it is also explored for protecting oxygen- or light-sensitive ingredients in cosmetics and foods at the research stage, subject to safety assessment and regulatory compliance before commercial deployment.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 508.48
    methanol 530.78
    isopropanol 455.72
    water 0.97
    ethyl acetate 172.01
    n-propanol 395.43
    acetone 336.12
    n-butanol 321.27
    acetonitrile 397.98
    DMF 592.35
    toluene 67.94
    isobutanol 246.12
    1,4-dioxane 657.17
    methyl acetate 228.64
    THF 952.6
    2-butanone 276.63
    n-pentanol 228.14
    sec-butanol 282.72
    n-hexane 15.08
    ethylene glycol 71.27
    NMP 166.53
    cyclohexane 18.94
    DMSO 408.63
    n-butyl acetate 172.38
    n-octanol 133.78
    chloroform 314.92
    n-propyl acetate 120.11
    acetic acid 137.64
    dichloromethane 284.49
    cyclohexanone 246.0
    propylene glycol 95.18
    isopropyl acetate 90.06
    DMAc 238.42
    2-ethoxyethanol 223.33
    isopentanol 212.54
    n-heptane 21.33
    ethyl formate 165.93
    1,2-dichloroethane 197.44
    n-hexanol 344.31
    2-methoxyethanol 398.41
    isobutyl acetate 76.18
    tetrachloromethane 52.58
    n-pentyl acetate 98.47
    transcutol 225.4
    n-heptanol 148.84
    ethylbenzene 56.72
    MIBK 109.54
    2-propoxyethanol 339.8
    tert-butanol 491.38
    MTBE 259.74
    2-butoxyethanol 177.19
    propionic acid 137.76
    o-xylene 50.06
    formic acid 58.54
    diethyl ether 242.68
    m-xylene 60.3
    p-xylene 74.16
    chlorobenzene 84.27
    dimethyl carbonate 53.07
    n-octane 12.85
    formamide 129.46
    cyclopentanone 362.04
    2-pentanone 205.34
    anisole 120.39
    cyclopentyl methyl ether 182.35
    gamma-butyrolactone 347.76
    1-methoxy-2-propanol 299.5
    pyridine 221.44
    3-pentanone 114.55
    furfural 208.1
    n-dodecane 10.67
    diethylene glycol 213.03
    diisopropyl ether 53.87
    tert-amyl alcohol 296.03
    acetylacetone 141.1
    n-hexadecane 12.01
    acetophenone 88.75
    methyl propionate 137.58
    isopentyl acetate 143.18
    trichloroethylene 280.81
    n-nonanol 112.02
    cyclohexanol 155.74
    benzyl alcohol 103.11
    2-ethylhexanol 142.21
    isooctanol 104.95
    dipropyl ether 133.86
    1,2-dichlorobenzene 71.16
    ethyl lactate 62.65
    propylene carbonate 140.6
    n-methylformamide 278.09
    2-pentanol 182.24
    n-pentane 15.33
    1-propoxy-2-propanol 218.38
    1-methoxy-2-propyl acetate 127.81
    2-(2-methoxypropoxy) propanol 104.4
    mesitylene 39.79
    ε-caprolactone 168.18
    p-cymene 48.15
    epichlorohydrin 399.67
    1,1,1-trichloroethane 161.88
    2-aminoethanol 159.95
    morpholine-4-carbaldehyde 227.89
    sulfolane 266.8
    2,2,4-trimethylpentane 12.12
    2-methyltetrahydrofuran 403.35
    n-hexyl acetate 130.97
    isooctane 12.47
    2-(2-butoxyethoxy)ethanol 154.39
    sec-butyl acetate 70.35
    tert-butyl acetate 107.82
    decalin 14.38
    glycerin 112.02
    diglyme 249.96
    acrylic acid 90.87
    isopropyl myristate 53.83
    n-butyric acid 180.71
    acetyl acetate 70.71
    di(2-ethylhexyl) phthalate 50.69
    ethyl propionate 89.33
    nitromethane 264.81
    1,2-diethoxyethane 139.75
    benzonitrile 110.87
    trioctyl phosphate 48.39
    1-bromopropane 146.91
    gamma-valerolactone 343.48
    n-decanol 87.09
    triethyl phosphate 49.1
    4-methyl-2-pentanol 103.15
    propionitrile 295.98
    vinylene carbonate 129.84
    1,1,2-trichlorotrifluoroethane 144.48
    DMS 64.3
    cumene 45.6
    2-octanol 103.74
    2-hexanone 147.67
    octyl acetate 75.91
    limonene 65.49
    1,2-dimethoxyethane 397.9
    ethyl orthosilicate 49.05
    tributyl phosphate 43.37
    diacetone alcohol 159.42
    N,N-dimethylaniline 81.3
    acrylonitrile 261.19
    aniline 93.24
    1,3-propanediol 263.68
    bromobenzene 79.07
    dibromomethane 206.86
    1,1,2,2-tetrachloroethane 211.35
    2-methyl-cyclohexyl acetate 84.8
    tetrabutyl urea 60.31
    diisobutyl methanol 76.44
    2-phenylethanol 145.6
    styrene 57.75
    dioctyl adipate 62.07
    dimethyl sulfate 72.14
    ethyl butyrate 102.21
    methyl lactate 67.9
    butyl lactate 72.93
    diethyl carbonate 65.12
    propanediol butyl ether 123.37
    triethyl orthoformate 65.27
    p-tert-butyltoluene 49.58
    methyl 4-tert-butylbenzoate 94.3
    morpholine 629.55
    tert-butylamine 250.15
    n-dodecanol 65.83
    dimethoxymethane 301.16
    ethylene carbonate 114.4
    cyrene 103.47
    2-ethoxyethyl acetate 105.93
    2-ethylhexyl acetate 107.46
    1,2,4-trichlorobenzene 75.73
    4-methylpyridine 186.13
    dibutyl ether 92.18
    2,6-dimethyl-4-heptanol 76.44
    DEF 147.14
    dimethyl isosorbide 167.18
    tetrachloroethylene 130.06
    eugenol 100.64
    triacetin 73.24
    span 80 98.76
    1,4-butanediol 105.1
    1,1-dichloroethane 216.22
    2-methyl-1-pentanol 157.53
    methyl formate 199.83
    2-methyl-1-butanol 181.37
    n-decane 18.19
    butyronitrile 298.04
    3,7-dimethyl-1-octanol 96.58
    1-chlorooctane 68.98
    1-chlorotetradecane 26.99
    n-nonane 17.06
    undecane 13.67
    tert-butylcyclohexane 17.17
    cyclooctane 7.72
    cyclopentanol 215.24
    tetrahydropyran 463.14
    tert-amyl methyl ether 140.74
    2,5,8-trioxanonane 170.55
    1-hexene 77.55
    2-isopropoxyethanol 159.35
    2,2,2-trifluoroethanol 50.28
    methyl butyrate 124.56

    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
Nigella sativa seed Nigella sativa L., fam. Ranunculaceae 0.64%
Oregano, spanish (Israel) 4 8007-11-2 Coridothymus capitatus Rchb. (Thymus capitatus Hoffm. et Link.), Lamiaceae 1.4%
Satureja pilosa (Bulgaria) Satureja pilosa var. pilosa Velen, fam. Lamiaceae (Labiatae) 0.3%