8,9-Dehydrothymol

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  • Identifiers

    CAS number
    18612-99-2

    Molecular formula
    C10H12O

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 64.88%
    Woody 61.94%
    Spicy 61.5%
    Sweet 59.02%
    Herbal 53.37%
    Medicinal 46.51%
    Smoky 38.6%
    Musty 35.56%
    Leathery 35.43%
    Dry 33.95%

     

    Flavor
    Phenolic 45.74%
    Woody 34.2%
    Medicinal 32.87%
    Camphor 28.09%
    Herbal 27.53%
    Spicy 26.11%
    Bitter 25.02%
    Spice 24.15%
    Guaiacol 23.42%
    Minty 22.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    10.73 (weak base)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point

    • 112.64 ˚C est.

  • Synonyms

    • 8,9-Dehydrothymol
    • 2-isopropenyl-5-methylphenol
    • 5-Methyl-2-(prop-1-en-2-yl)phenol
    • Phenol, 5-methyl-2-(1-methylethenyl)-
    • 18612-99-2
    • m-Cresol, 6-isopropenyl-
    • DTXSID60423892
    • 5-Methyl-2-(1-methylethenyl)phenol
    • RefChem:106770
    • DTXCID20374730
    • IHWFPRKZRRGTTI-UHFFFAOYSA-N
    • 5-methyl-2-prop-1-en-2-ylphenol
    • SCHEMBL686122
    • 2-Isopropenyl-5-methyl-phenol
    • NS00116371
    • 18612-99-2

  • Applications

    8,9-Dehydrothymol (CAS 18612-99-2) is primarily used as an odorant/fragrance component in perfumery and scent chemistry, serving as a basis or intermediate for the synthesis of aroma compounds. In cosmetics and personal care, it may be employed as a fragrance ingredient at low concentrations. In industrial manufacturing, it can function as an intermediate in the synthesis of other fragrance chemicals and related additives for household cleaners and coatings with fragrance, subject to formulation limits and local regulations. It may also be encountered as a building block in fragrance chemistry for various applications in consumer and industrial products, with usage guided by regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1909.22
    methanol 2426.86
    isopropanol 1302.58
    water 0.99
    ethyl acetate 847.73
    n-propanol 1225.08
    acetone 1258.42
    n-butanol 1020.85
    acetonitrile 2563.47
    DMF 1211.05
    toluene 243.47
    isobutanol 688.79
    1,4-dioxane 2479.95
    methyl acetate 764.41
    THF 2975.33
    2-butanone 832.26
    n-pentanol 649.81
    sec-butanol 775.77
    n-hexane 174.31
    ethylene glycol 101.27
    NMP 451.8
    cyclohexane 218.28
    DMSO 719.64
    n-butyl acetate 630.36
    n-octanol 316.46
    chloroform 977.35
    n-propyl acetate 462.95
    acetic acid 631.29
    dichloromethane 862.69
    cyclohexanone 896.31
    propylene glycol 181.71
    isopropyl acetate 359.99
    DMAc 362.01
    2-ethoxyethanol 541.73
    isopentanol 591.62
    n-heptane 196.29
    ethyl formate 677.34
    1,2-dichloroethane 547.18
    n-hexanol 954.96
    2-methoxyethanol 1122.72
    isobutyl acetate 241.95
    tetrachloromethane 150.44
    n-pentyl acetate 262.55
    transcutol 1010.3
    n-heptanol 312.5
    ethylbenzene 136.59
    MIBK 339.62
    2-propoxyethanol 916.33
    tert-butanol 1032.05
    MTBE 695.31
    2-butoxyethanol 376.02
    propionic acid 439.84
    o-xylene 112.96
    formic acid 202.18
    diethyl ether 1418.38
    m-xylene 165.01
    p-xylene 166.92
    chlorobenzene 271.9
    dimethyl carbonate 184.53
    n-octane 54.97
    formamide 437.87
    cyclopentanone 1026.53
    2-pentanone 778.71
    anisole 286.6
    cyclopentyl methyl ether 814.99
    gamma-butyrolactone 998.4
    1-methoxy-2-propanol 781.72
    pyridine 824.04
    3-pentanone 414.25
    furfural 586.41
    n-dodecane 35.09
    diethylene glycol 436.99
    diisopropyl ether 236.88
    tert-amyl alcohol 574.92
    acetylacetone 450.73
    n-hexadecane 40.14
    acetophenone 197.92
    methyl propionate 470.06
    isopentyl acetate 397.66
    trichloroethylene 707.52
    n-nonanol 259.06
    cyclohexanol 597.95
    benzyl alcohol 233.89
    2-ethylhexanol 399.9
    isooctanol 222.2
    dipropyl ether 648.22
    1,2-dichlorobenzene 180.51
    ethyl lactate 150.12
    propylene carbonate 493.43
    n-methylformamide 849.36
    2-pentanol 605.95
    n-pentane 172.37
    1-propoxy-2-propanol 606.52
    1-methoxy-2-propyl acetate 364.7
    2-(2-methoxypropoxy) propanol 269.89
    mesitylene 100.11
    ε-caprolactone 587.65
    p-cymene 108.83
    epichlorohydrin 1105.85
    1,1,1-trichloroethane 468.44
    2-aminoethanol 330.01
    morpholine-4-carbaldehyde 676.81
    sulfolane 552.29
    2,2,4-trimethylpentane 46.07
    2-methyltetrahydrofuran 1534.61
    n-hexyl acetate 390.91
    isooctane 53.07
    2-(2-butoxyethoxy)ethanol 464.72
    sec-butyl acetate 225.7
    tert-butyl acetate 318.85
    decalin 62.19
    glycerin 184.58
    diglyme 774.66
    acrylic acid 261.06
    isopropyl myristate 155.93
    n-butyric acid 807.51
    acetyl acetate 305.91
    di(2-ethylhexyl) phthalate 113.04
    ethyl propionate 330.36
    nitromethane 1156.45
    1,2-diethoxyethane 580.45
    benzonitrile 338.87
    trioctyl phosphate 100.89
    1-bromopropane 502.27
    gamma-valerolactone 1056.96
    n-decanol 192.37
    triethyl phosphate 122.31
    4-methyl-2-pentanol 269.04
    propionitrile 1209.48
    vinylene carbonate 449.7
    1,1,2-trichlorotrifluoroethane 344.6
    DMS 182.24
    cumene 95.17
    2-octanol 221.83
    2-hexanone 501.32
    octyl acetate 199.28
    limonene 185.99
    1,2-dimethoxyethane 1186.33
    ethyl orthosilicate 128.23
    tributyl phosphate 120.51
    diacetone alcohol 360.58
    N,N-dimethylaniline 158.63
    acrylonitrile 906.22
    aniline 311.84
    1,3-propanediol 582.13
    bromobenzene 236.96
    dibromomethane 660.92
    1,1,2,2-tetrachloroethane 511.39
    2-methyl-cyclohexyl acetate 218.63
    tetrabutyl urea 142.83
    diisobutyl methanol 199.74
    2-phenylethanol 298.33
    styrene 154.04
    dioctyl adipate 182.71
    dimethyl sulfate 152.17
    ethyl butyrate 378.57
    methyl lactate 172.15
    butyl lactate 184.67
    diethyl carbonate 218.48
    propanediol butyl ether 304.01
    triethyl orthoformate 223.96
    p-tert-butyltoluene 111.85
    methyl 4-tert-butylbenzoate 199.11
    morpholine 2464.44
    tert-butylamine 661.44
    n-dodecanol 144.54
    dimethoxymethane 1055.44
    ethylene carbonate 422.13
    cyrene 200.94
    2-ethoxyethyl acetate 288.08
    2-ethylhexyl acetate 305.44
    1,2,4-trichlorobenzene 186.57
    4-methylpyridine 659.82
    dibutyl ether 401.54
    2,6-dimethyl-4-heptanol 199.74
    DEF 499.38
    dimethyl isosorbide 413.94
    tetrachloroethylene 299.21
    eugenol 204.98
    triacetin 214.61
    span 80 269.14
    1,4-butanediol 187.86
    1,1-dichloroethane 640.87
    2-methyl-1-pentanol 386.79
    methyl formate 620.51
    2-methyl-1-butanol 517.84
    n-decane 69.11
    butyronitrile 1324.29
    3,7-dimethyl-1-octanol 258.91
    1-chlorooctane 204.51
    1-chlorotetradecane 73.23
    n-nonane 74.83
    undecane 47.71
    tert-butylcyclohexane 64.27
    cyclooctane 65.52
    cyclopentanol 671.11
    tetrahydropyran 2183.77
    tert-amyl methyl ether 361.32
    2,5,8-trioxanonane 483.98
    1-hexene 468.69
    2-isopropoxyethanol 338.01
    2,2,2-trifluoroethanol 135.56
    methyl butyrate 456.54

    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