8,9-Dehydrothymol isobutyrate

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  • Identifiers

    CAS number
    38146-79-1

    Molecular formula
    C14H18O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 74.3%
    Floral 51.24%
    Herbal 47.03%
    Woody 43.85%
    Sweet 43.28%
    Spicy 42.56%
    Dry 37.37%
    Berry 33.65%
    Tobacco 29.67%
    Green 29.55%

     

    Flavor
    Woody 31.22%
    Herbal 30.59%
    Fruity 25.35%
    Bitter 25.19%
    Broom 20.97%
    Heather 20.82%
    Genet 20.79%
    Parsley 20.13%
    Light 20.01%
    Thymol 19.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.98 (neutral)

    Molecular weight
    218.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point

    • 117.7 ˚C est.

  • Synonyms

    • 8,9-Dehydrothymol isobutyrate
    • 38146-79-1
    • 5-Methyl-2-(prop-1-en-2-yl)phenyl isobutyrate
    • starbld0002150
    • orb1680870
    • BSAPRZRKFYAPEB-UHFFFAOYSA-N
    • NBA14679
    • AKOS040762998
    • Propanoic acid, 2-methyl-, 5-methyl-2-(1-methylethenyl)phenyl ester
    • 38146-79-1

  • Applications

    8,9-Dehydrothymol isobutyrate (CAS 38146-79-1) is used primarily as a fragrance ingredient and odorant in perfumery and cosmetics, where it may serve as a fragrance note or a fixative; it is also employed as an intermediate in the synthesis of thymol-derived esters and related specialty chemicals for fragrance applications; in household products, it may be added to improve scent profiles in cleaners and air fresheners; in industrial manufacturing it can act as a precursor for thymol-based compounds used in coatings, inks, and polymer-related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3330.36
    methanol 3163.46
    isopropanol 3035.68
    water 1.51
    ethyl acetate 3083.35
    n-propanol 3005.13
    acetone 4231.11
    n-butanol 3081.7
    acetonitrile 2761.27
    DMF 5798.02
    toluene 2137.24
    isobutanol 2822.35
    1,4-dioxane 4923.6
    methyl acetate 2615.69
    THF 6043.13
    2-butanone 3694.07
    n-pentanol 2044.34
    sec-butanol 3355.32
    n-hexane 612.52
    ethylene glycol 215.22
    NMP 3961.64
    cyclohexane 813.34
    DMSO 1674.98
    n-butyl acetate 2703.74
    n-octanol 918.97
    chloroform 6879.76
    n-propyl acetate 1909.34
    acetic acid 2470.98
    dichloromethane 5737.11
    cyclohexanone 5219.56
    propylene glycol 514.13
    isopropyl acetate 2084.77
    DMAc 3953.55
    2-ethoxyethanol 1742.96
    isopentanol 2971.62
    n-heptane 193.73
    ethyl formate 1874.72
    1,2-dichloroethane 4059.3
    n-hexanol 2350.61
    2-methoxyethanol 2723.25
    isobutyl acetate 1197.11
    tetrachloromethane 891.62
    n-pentyl acetate 1297.46
    transcutol 3931.43
    n-heptanol 935.0
    ethylbenzene 1241.39
    MIBK 1900.45
    2-propoxyethanol 2429.98
    tert-butanol 3370.96
    MTBE 3839.47
    2-butoxyethanol 1247.94
    propionic acid 1669.69
    o-xylene 1033.07
    formic acid 614.18
    diethyl ether 3470.27
    m-xylene 1270.12
    p-xylene 1710.89
    chlorobenzene 2455.75
    dimethyl carbonate 916.62
    n-octane 99.94
    formamide 1160.15
    cyclopentanone 4511.5
    2-pentanone 3362.18
    anisole 1929.39
    cyclopentyl methyl ether 2961.3
    gamma-butyrolactone 3946.07
    1-methoxy-2-propanol 2174.15
    pyridine 4454.47
    3-pentanone 2201.22
    furfural 2934.15
    n-dodecane 71.56
    diethylene glycol 1143.69
    diisopropyl ether 1062.54
    tert-amyl alcohol 3226.67
    acetylacetone 2593.01
    n-hexadecane 83.86
    acetophenone 1624.8
    methyl propionate 2168.82
    isopentyl acetate 2368.76
    trichloroethylene 7906.06
    n-nonanol 793.8
    cyclohexanol 3004.95
    benzyl alcohol 1514.13
    2-ethylhexanol 1221.36
    isooctanol 755.57
    dipropyl ether 1246.07
    1,2-dichlorobenzene 1877.22
    ethyl lactate 591.81
    propylene carbonate 2530.93
    n-methylformamide 2186.77
    2-pentanol 2509.33
    n-pentane 461.59
    1-propoxy-2-propanol 1583.0
    1-methoxy-2-propyl acetate 1669.55
    2-(2-methoxypropoxy) propanol 911.38
    mesitylene 684.96
    ε-caprolactone 3712.37
    p-cymene 469.31
    epichlorohydrin 5217.28
    1,1,1-trichloroethane 3772.22
    2-aminoethanol 786.43
    morpholine-4-carbaldehyde 3694.39
    sulfolane 2940.37
    2,2,4-trimethylpentane 241.4
    2-methyltetrahydrofuran 5128.17
    n-hexyl acetate 1893.27
    isooctane 172.2
    2-(2-butoxyethoxy)ethanol 1385.33
    sec-butyl acetate 1341.46
    tert-butyl acetate 2031.04
    decalin 354.7
    glycerin 509.65
    diglyme 2496.02
    acrylic acid 1191.89
    isopropyl myristate 606.23
    n-butyric acid 2981.35
    acetyl acetate 1581.4
    di(2-ethylhexyl) phthalate 488.46
    ethyl propionate 1472.27
    nitromethane 3330.4
    1,2-diethoxyethane 2043.6
    benzonitrile 2038.93
    trioctyl phosphate 370.65
    1-bromopropane 2577.82
    gamma-valerolactone 5124.36
    n-decanol 535.45
    triethyl phosphate 500.48
    4-methyl-2-pentanol 1188.23
    propionitrile 2419.22
    vinylene carbonate 2211.87
    1,1,2-trichlorotrifluoroethane 2259.03
    DMS 1108.96
    cumene 693.33
    2-octanol 752.61
    2-hexanone 2176.72
    octyl acetate 796.51
    limonene 772.91
    1,2-dimethoxyethane 3683.14
    ethyl orthosilicate 520.72
    tributyl phosphate 483.4
    diacetone alcohol 1899.38
    N,N-dimethylaniline 1151.06
    acrylonitrile 2333.23
    aniline 2053.06
    1,3-propanediol 1604.48
    bromobenzene 2621.05
    dibromomethane 3953.92
    1,1,2,2-tetrachloroethane 5923.28
    2-methyl-cyclohexyl acetate 1063.22
    tetrabutyl urea 577.06
    diisobutyl methanol 557.34
    2-phenylethanol 1459.04
    styrene 1518.1
    dioctyl adipate 738.51
    dimethyl sulfate 1000.01
    ethyl butyrate 1428.93
    methyl lactate 670.81
    butyl lactate 799.8
    diethyl carbonate 872.33
    propanediol butyl ether 1017.93
    triethyl orthoformate 877.6
    p-tert-butyltoluene 462.52
    methyl 4-tert-butylbenzoate 921.11
    morpholine 6023.52
    tert-butylamine 2424.18
    n-dodecanol 369.52
    dimethoxymethane 2745.86
    ethylene carbonate 1992.13
    cyrene 922.71
    2-ethoxyethyl acetate 1457.33
    2-ethylhexyl acetate 1814.31
    1,2,4-trichlorobenzene 2121.4
    4-methylpyridine 5271.48
    dibutyl ether 1146.2
    2,6-dimethyl-4-heptanol 557.34
    DEF 3739.37
    dimethyl isosorbide 1589.26
    tetrachloroethylene 3719.71
    eugenol 939.14
    triacetin 1009.59
    span 80 869.95
    1,4-butanediol 638.89
    1,1-dichloroethane 4454.52
    2-methyl-1-pentanol 2272.84
    methyl formate 1646.92
    2-methyl-1-butanol 2990.37
    n-decane 134.22
    butyronitrile 3249.0
    3,7-dimethyl-1-octanol 879.06
    1-chlorooctane 651.03
    1-chlorotetradecane 223.66
    n-nonane 131.03
    undecane 93.18
    tert-butylcyclohexane 308.48
    cyclooctane 201.17
    cyclopentanol 2450.53
    tetrahydropyran 5838.83
    tert-amyl methyl ether 2503.53
    2,5,8-trioxanonane 1425.1
    1-hexene 1810.42
    2-isopropoxyethanol 1336.03
    2,2,2-trifluoroethanol 705.78
    methyl butyrate 2265.05

    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