8(9)-Dehydrothymol isobutyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C14H18O2

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

  • Odor profile

    Fruity 78.81%
    Floral 48.44%
    Herbal 47.32%
    Sweet 43.79%
    Spicy 39.91%
    Woody 36.17%
    Dry 35.11%
    Berry 33.64%
    Green 29.78%
    Grape 27.68%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    Molecular weight
    218.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point est.
    118.15 ˚C

  • Synonyms

    • 8(9)-Dehydrothymol isobutyrate
    • KICUJBIVPALHON-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1401.48
    methanol 1161.55
    isopropanol 1259.12
    water 0.54
    ethyl acetate 1922.33
    n-propanol 1372.31
    acetone 1622.43
    n-butanol 1420.15
    acetonitrile 1339.69
    DMF 2609.43
    toluene 1511.89
    isobutanol 1186.3
    1,4-dioxane 2180.21
    methyl acetate 1933.31
    THF 2364.37
    2-butanone 2564.89
    n-pentanol 1164.73
    sec-butanol 1710.95
    n-hexane 181.1
    ethylene glycol 90.87
    NMP 1547.51
    cyclohexane 181.57
    DMSO 784.5
    n-butyl acetate 2011.39
    n-octanol 536.86
    chloroform 3686.48
    n-propyl acetate 1353.47
    acetic acid 734.68
    dichloromethane 3434.46
    cyclohexanone 2100.08
    propylene glycol 250.41
    isopropyl acetate 1114.84
    DMAc 2684.45
    2-ethoxyethanol 1135.71
    isopentanol 1383.26
    n-heptane 73.46
    ethyl formate 1103.08
    1,2-dichloroethane 2081.55
    n-hexanol 1150.08
    2-methoxyethanol 1332.61
    isobutyl acetate 868.98
    tetrachloromethane 413.6
    n-pentyl acetate 851.71
    transcutol 2418.65
    n-heptanol 553.79
    ethylbenzene 1007.53
    MIBK 937.86
    2-propoxyethanol 1419.41
    tert-butanol 1500.14
    MTBE 2162.56
    2-butoxyethanol 864.99
    propionic acid 714.38
    o-xylene 822.18
    formic acid 200.22
    diethyl ether 1654.09
    m-xylene 831.53
    p-xylene 1236.83
    chlorobenzene 1459.76
    dimethyl carbonate 472.13
    n-octane 49.0
    formamide 500.26
    cyclopentanone 1939.62
    2-pentanone 1726.4
    anisole 1525.08
    cyclopentyl methyl ether 1030.23
    gamma-butyrolactone 1760.22
    1-methoxy-2-propanol 1089.97
    pyridine 2564.39
    3-pentanone 1325.28
    furfural 1777.39
    n-dodecane 40.41
    diethylene glycol 589.83
    diisopropyl ether 463.45
    tert-amyl alcohol 1867.54
    acetylacetone 1303.79
    n-hexadecane 47.31
    acetophenone 1234.02
    methyl propionate 1340.51
    isopentyl acetate 1731.49
    trichloroethylene 4023.83
    n-nonanol 463.59
    cyclohexanol 991.47
    benzyl alcohol 1115.55
    2-ethylhexanol 732.32
    isooctanol 480.02
    dipropyl ether 664.78
    1,2-dichlorobenzene 1096.91
    ethyl lactate 424.42
    propylene carbonate 1263.86
    n-methylformamide 1060.9
    2-pentanol 1099.59
    n-pentane 130.14
    1-propoxy-2-propanol 1021.7
    1-methoxy-2-propyl acetate 1186.21
    2-(2-methoxypropoxy) propanol 660.6
    mesitylene 408.53
    ε-caprolactone 1848.6
    p-cymene 367.63
    epichlorohydrin 2594.1
    1,1,1-trichloroethane 1942.24
    2-aminoethanol 348.26
    morpholine-4-carbaldehyde 1879.77
    sulfolane 1125.52
    2,2,4-trimethylpentane 114.13
    2-methyltetrahydrofuran 2271.57
    n-hexyl acetate 1124.74
    isooctane 74.25
    2-(2-butoxyethoxy)ethanol 965.07
    sec-butyl acetate 1016.25
    tert-butyl acetate 1054.63
    decalin 156.98
    glycerin 230.79
    diglyme 1638.47
    acrylic acid 514.71
    isopropyl myristate 382.21
    n-butyric acid 1311.2
    acetyl acetate 822.55
    di(2-ethylhexyl) phthalate 320.77
    ethyl propionate 1078.19
    nitromethane 1346.82
    1,2-diethoxyethane 1372.12
    benzonitrile 1402.02
    trioctyl phosphate 231.33
    1-bromopropane 1433.42
    gamma-valerolactone 2485.72
    n-decanol 324.18
    triethyl phosphate 349.22
    4-methyl-2-pentanol 615.29
    propionitrile 1351.16
    vinylene carbonate 1220.62
    1,1,2-trichlorotrifluoroethane 1124.72
    DMS 713.01
    cumene 534.73
    2-octanol 436.66
    2-hexanone 1450.57
    octyl acetate 514.13
    limonene 484.67
    1,2-dimethoxyethane 2139.43
    ethyl orthosilicate 355.58
    tributyl phosphate 304.52
    diacetone alcohol 995.72
    N,N-dimethylaniline 895.03
    acrylonitrile 1385.15
    aniline 1185.37
    1,3-propanediol 676.89
    bromobenzene 1636.16
    dibromomethane 2288.54
    1,1,2,2-tetrachloroethane 2953.84
    2-methyl-cyclohexyl acetate 699.49
    tetrabutyl urea 357.27
    diisobutyl methanol 354.49
    2-phenylethanol 1071.05
    styrene 1208.41
    dioctyl adipate 476.35
    dimethyl sulfate 505.54
    ethyl butyrate 1101.26
    methyl lactate 396.53
    butyl lactate 521.56
    diethyl carbonate 692.38
    propanediol butyl ether 640.55
    triethyl orthoformate 599.54
    p-tert-butyltoluene 351.19
    methyl 4-tert-butylbenzoate 631.65
    morpholine 2558.04
    tert-butylamine 1014.87
    n-dodecanol 238.39
    dimethoxymethane 1302.9
    ethylene carbonate 1000.6
    cyrene 582.17
    2-ethoxyethyl acetate 1031.0
    2-ethylhexyl acetate 1331.37
    1,2,4-trichlorobenzene 1197.66
    4-methylpyridine 3055.7
    dibutyl ether 681.57
    2,6-dimethyl-4-heptanol 354.49
    DEF 1926.34
    dimethyl isosorbide 980.35
    tetrachloroethylene 1546.7
    eugenol 668.32
    triacetin 622.85
    span 80 547.08
    1,4-butanediol 329.4
    1,1-dichloroethane 2319.58
    2-methyl-1-pentanol 1292.31
    methyl formate 727.0
    2-methyl-1-butanol 1450.27
    n-decane 71.4
    butyronitrile 1689.07
    3,7-dimethyl-1-octanol 562.26
    1-chlorooctane 379.41
    1-chlorotetradecane 133.85
    n-nonane 67.83
    undecane 51.71
    tert-butylcyclohexane 167.93
    cyclooctane 55.25
    cyclopentanol 800.22
    tetrahydropyran 2217.23
    tert-amyl methyl ether 1609.61
    2,5,8-trioxanonane 1019.04
    1-hexene 856.64
    2-isopropoxyethanol 944.9
    2,2,2-trifluoroethanol 241.28
    methyl butyrate 1599.06

    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
Schizogyne glaberrima (Spain/Canary Islands) Schizogyne glaberrima DC., fam. Asteraceae (Compositae) 1.0%