Thujyl isobutyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    SMILES
    CC(C)C(=O)OC1CC(C)C2CC12C(C)C

  • Odor profile

    Herbal 71.39%
    Woody 68.99%
    Fruity 66.07%
    Mint 52.85%
    Floral 44.79%
    Balsamic 44.06%
    Fresh 42.24%
    Pine 40.45%
    Cooling 39.68%
    Camphoreous 37.68%

    Scent© AI

  • Properties

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point est.
    94.61 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2606.2
    methanol 2126.43
    isopropanol 3077.81
    water 9.51
    ethyl acetate 2699.39
    n-propanol 2393.91
    acetone 2971.53
    n-butanol 2274.32
    acetonitrile 2038.12
    DMF 2114.29
    toluene 1908.04
    isobutanol 2273.9
    1,4-dioxane 3969.33
    methyl acetate 2213.2
    THF 4424.47
    2-butanone 2525.54
    n-pentanol 1353.39
    sec-butanol 2284.34
    n-hexane 311.31
    ethylene glycol 287.41
    NMP 1362.09
    cyclohexane 723.41
    DMSO 873.87
    n-butyl acetate 2234.03
    n-octanol 708.97
    chloroform 6512.0
    n-propyl acetate 1751.05
    acetic acid 1933.07
    dichloromethane 4529.55
    cyclohexanone 2920.97
    propylene glycol 477.99
    isopropyl acetate 2381.9
    DMAc 1791.81
    2-ethoxyethanol 1588.92
    isopentanol 2172.17
    n-heptane 154.12
    ethyl formate 1532.76
    1,2-dichloroethane 2564.31
    n-hexanol 1617.97
    2-methoxyethanol 2222.84
    isobutyl acetate 1403.35
    tetrachloromethane 1458.74
    n-pentyl acetate 1363.88
    transcutol 3130.38
    n-heptanol 813.1
    ethylbenzene 1055.63
    MIBK 1688.67
    2-propoxyethanol 2003.46
    tert-butanol 2545.42
    MTBE 3429.08
    2-butoxyethanol 1380.87
    propionic acid 1343.03
    o-xylene 1089.48
    formic acid 564.78
    diethyl ether 2771.28
    m-xylene 1264.74
    p-xylene 1732.34
    chlorobenzene 2180.96
    dimethyl carbonate 725.55
    n-octane 91.93
    formamide 875.96
    cyclopentanone 2617.22
    2-pentanone 2216.94
    anisole 1594.98
    cyclopentyl methyl ether 1864.13
    gamma-butyrolactone 2643.55
    1-methoxy-2-propanol 1853.64
    pyridine 3250.72
    3-pentanone 1513.81
    furfural 2153.39
    n-dodecane 70.33
    diethylene glycol 1097.91
    diisopropyl ether 1162.19
    tert-amyl alcohol 2069.73
    acetylacetone 2178.49
    n-hexadecane 83.86
    acetophenone 1360.57
    methyl propionate 1536.58
    isopentyl acetate 2299.48
    trichloroethylene 4838.42
    n-nonanol 637.67
    cyclohexanol 1864.49
    benzyl alcohol 1206.64
    2-ethylhexanol 909.29
    isooctanol 731.77
    dipropyl ether 835.09
    1,2-dichlorobenzene 1785.92
    ethyl lactate 514.03
    propylene carbonate 1866.12
    n-methylformamide 1199.98
    2-pentanol 1779.86
    n-pentane 354.66
    1-propoxy-2-propanol 1288.54
    1-methoxy-2-propyl acetate 1642.09
    2-(2-methoxypropoxy) propanol 866.81
    mesitylene 829.4
    ε-caprolactone 2552.02
    p-cymene 521.1
    epichlorohydrin 3157.85
    1,1,1-trichloroethane 3613.56
    2-aminoethanol 817.13
    morpholine-4-carbaldehyde 1949.87
    sulfolane 1525.67
    2,2,4-trimethylpentane 239.74
    2-methyltetrahydrofuran 3546.55
    n-hexyl acetate 1691.08
    isooctane 213.6
    2-(2-butoxyethoxy)ethanol 1234.42
    sec-butyl acetate 1490.82
    tert-butyl acetate 2055.84
    decalin 310.56
    glycerin 506.31
    diglyme 2348.35
    acrylic acid 1001.0
    isopropyl myristate 583.93
    n-butyric acid 2284.27
    acetyl acetate 1753.51
    di(2-ethylhexyl) phthalate 478.74
    ethyl propionate 1344.19
    nitromethane 2303.72
    1,2-diethoxyethane 1770.58
    benzonitrile 1849.83
    trioctyl phosphate 338.38
    1-bromopropane 1964.59
    gamma-valerolactone 3117.96
    n-decanol 433.15
    triethyl phosphate 457.4
    4-methyl-2-pentanol 1132.87
    propionitrile 1765.78
    vinylene carbonate 1787.53
    1,1,2-trichlorotrifluoroethane 1666.79
    DMS 1218.49
    cumene 723.02
    2-octanol 622.97
    2-hexanone 1550.28
    octyl acetate 704.04
    limonene 641.15
    1,2-dimethoxyethane 2799.37
    ethyl orthosilicate 494.56
    tributyl phosphate 420.84
    diacetone alcohol 1410.78
    N,N-dimethylaniline 888.08
    acrylonitrile 1661.67
    aniline 1631.72
    1,3-propanediol 1425.62
    bromobenzene 2379.2
    dibromomethane 3259.29
    1,1,2,2-tetrachloroethane 3891.48
    2-methyl-cyclohexyl acetate 933.23
    tetrabutyl urea 444.59
    diisobutyl methanol 560.77
    2-phenylethanol 1327.9
    styrene 1235.25
    dioctyl adipate 634.23
    dimethyl sulfate 681.83
    ethyl butyrate 1207.54
    methyl lactate 579.97
    butyl lactate 749.54
    diethyl carbonate 801.66
    propanediol butyl ether 872.3
    triethyl orthoformate 826.23
    p-tert-butyltoluene 504.27
    methyl 4-tert-butylbenzoate 912.54
    morpholine 3923.47
    tert-butylamine 1901.69
    n-dodecanol 307.82
    dimethoxymethane 1757.85
    ethylene carbonate 1691.61
    cyrene 661.37
    2-ethoxyethyl acetate 1594.71
    2-ethylhexyl acetate 1696.49
    1,2,4-trichlorobenzene 1884.87
    4-methylpyridine 3401.66
    dibutyl ether 923.68
    2,6-dimethyl-4-heptanol 560.77
    DEF 1750.32
    dimethyl isosorbide 1208.89
    tetrachloroethylene 2957.97
    eugenol 833.05
    triacetin 1043.95
    span 80 700.48
    1,4-butanediol 560.2
    1,1-dichloroethane 3778.1
    2-methyl-1-pentanol 1350.72
    methyl formate 993.48
    2-methyl-1-butanol 1939.5
    n-decane 127.81
    butyronitrile 2202.79
    3,7-dimethyl-1-octanol 790.61
    1-chlorooctane 522.79
    1-chlorotetradecane 194.18
    n-nonane 121.19
    undecane 90.32
    tert-butylcyclohexane 275.01
    cyclooctane 219.96
    cyclopentanol 1712.21
    tetrahydropyran 3894.04
    tert-amyl methyl ether 1737.53
    2,5,8-trioxanonane 1251.96
    1-hexene 928.49
    2-isopropoxyethanol 1300.53
    2,2,2-trifluoroethanol 795.57
    methyl butyrate 1796.67

    Scent© AI

1 3

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
Yarrow (Greece) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 1.4%