p-tert-Butylphenetole

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    17269-94-2

    Molecular formula
    C12H18O

    SMILES
    CCOC1=CC=C(C=C1)C(C)(C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Spicy 53.38%
    Woody 50.55%
    Phenolic 46.89%
    Herbal 46.29%
    Leathery 43.35%
    Earthy 36.08%
    Camphoreous 31.37%
    Dry 30.68%
    Medicinal 30.27%
    Smoky 28.76%

     

    Flavor
    Green 28.93%
    Musty 28.84%
    Camphor 28.11%
    Earthy 28.1%
    Phenolic 27.48%
    Sweet 27.29%
    Herbal 24.46%
    Bitter 23.74%
    Woody 23.65%
    Spice 21.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.02 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 89.93 ˚C est.

  • Synonyms

    • p-tert-Butylphenetole
    • 1-tert-Butyl-4-ethoxybenzene
    • 17269-94-2
    • Phenetole, p-tert-butyl-
    • Benzene, 1-(1,1-dimethylethyl)-4-ethoxy-
    • EINECS 241-305-0
    • DTXSID30169371
    • 1-(1,1-Dimethylethyl)-4-ethoxybenzene
    • 1-(TERT-BUTYL)-4-ETHOXYBENZENE
    • ECK6H33VTR
    • Ethyl 4-terbutylphenyl ether
    • SCHEMBL799636
    • 4-Tert-Butylphenyl ethyl ether
    • DTXCID9091862
    • 1-tert-Butyl-4-ethoxybenzene #
    • AKOS002710535
    • 1-(1,1-dimethylethyl)-4-ethoxy-benzene
    • NS00025658
    • InChI=1/C12H18O/c1-5-13-11-8-6-10(7-9-11)12(2,3)4/h6-9H,5H2,1-4H
    • 241-305-0

  • Applications

    p-tert-Butylphenetole (CAS 17269-94-2) is primarily used as a building block and intermediate in organic synthesis across several industries, notably as a precursor for fragrance components in perfumery, as a starting material in dye and pigment synthesis, and as an intermediate in coating and ink formulations; it can also serve as a precursor or additive in polymer and plastics chemistry, and is evaluated for use in general industrial manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1446.3
    methanol 934.81
    isopropanol 1028.99
    water 0.8
    ethyl acetate 2979.56
    n-propanol 1271.99
    acetone 2146.45
    n-butanol 1389.07
    acetonitrile 1493.01
    DMF 2069.47
    toluene 1281.53
    isobutanol 1026.9
    1,4-dioxane 3711.85
    methyl acetate 1973.55
    THF 4172.51
    2-butanone 1817.41
    n-pentanol 844.0
    sec-butanol 1046.11
    n-hexane 895.37
    ethylene glycol 239.26
    NMP 1936.17
    cyclohexane 1152.2
    DMSO 1325.71
    n-butyl acetate 2178.34
    n-octanol 614.67
    chloroform 4807.77
    n-propyl acetate 1169.82
    acetic acid 1062.85
    dichloromethane 4268.57
    cyclohexanone 2748.96
    propylene glycol 366.25
    isopropyl acetate 1814.07
    DMAc 1935.61
    2-ethoxyethanol 1171.7
    isopentanol 1296.14
    n-heptane 486.55
    ethyl formate 987.41
    1,2-dichloroethane 3437.58
    n-hexanol 1724.87
    2-methoxyethanol 1846.18
    isobutyl acetate 871.53
    tetrachloromethane 986.53
    n-pentyl acetate 839.35
    transcutol 4638.23
    n-heptanol 529.56
    ethylbenzene 641.35
    MIBK 1204.51
    2-propoxyethanol 2311.55
    tert-butanol 1694.96
    MTBE 3006.62
    2-butoxyethanol 884.26
    propionic acid 942.3
    o-xylene 727.77
    formic acid 288.05
    diethyl ether 3650.84
    m-xylene 852.77
    p-xylene 759.44
    chlorobenzene 1521.68
    dimethyl carbonate 908.43
    n-octane 187.29
    formamide 475.25
    cyclopentanone 2547.22
    2-pentanone 1883.7
    anisole 1128.04
    cyclopentyl methyl ether 2760.84
    gamma-butyrolactone 2578.84
    1-methoxy-2-propanol 1499.41
    pyridine 1731.38
    3-pentanone 1724.48
    furfural 1764.63
    n-dodecane 120.32
    diethylene glycol 1219.86
    diisopropyl ether 1334.86
    tert-amyl alcohol 1429.28
    acetylacetone 2019.26
    n-hexadecane 142.1
    acetophenone 829.03
    methyl propionate 2035.03
    isopentyl acetate 1884.33
    trichloroethylene 4703.07
    n-nonanol 548.35
    cyclohexanol 1506.58
    benzyl alcohol 619.28
    2-ethylhexanol 1009.58
    isooctanol 451.65
    dipropyl ether 1829.02
    1,2-dichlorobenzene 1368.33
    ethyl lactate 455.96
    propylene carbonate 1639.76
    n-methylformamide 813.12
    2-pentanol 1113.36
    n-pentane 642.67
    1-propoxy-2-propanol 1598.18
    1-methoxy-2-propyl acetate 2173.64
    2-(2-methoxypropoxy) propanol 944.08
    mesitylene 606.48
    ε-caprolactone 2246.77
    p-cymene 448.09
    epichlorohydrin 3596.16
    1,1,1-trichloroethane 3279.21
    2-aminoethanol 518.28
    morpholine-4-carbaldehyde 2334.36
    sulfolane 2429.75
    2,2,4-trimethylpentane 300.05
    2-methyltetrahydrofuran 3404.0
    n-hexyl acetate 1464.61
    isooctane 257.79
    2-(2-butoxyethoxy)ethanol 1361.72
    sec-butyl acetate 996.36
    tert-butyl acetate 2062.85
    decalin 453.62
    glycerin 458.27
    diglyme 2358.81
    acrylic acid 673.2
    isopropyl myristate 593.74
    n-butyric acid 1619.53
    acetyl acetate 1705.0
    di(2-ethylhexyl) phthalate 409.92
    ethyl propionate 1254.81
    nitromethane 1956.14
    1,2-diethoxyethane 2398.19
    benzonitrile 888.55
    trioctyl phosphate 331.68
    1-bromopropane 2369.3
    gamma-valerolactone 2960.71
    n-decanol 413.79
    triethyl phosphate 554.38
    4-methyl-2-pentanol 732.4
    propionitrile 1133.07
    vinylene carbonate 1396.04
    1,1,2-trichlorotrifluoroethane 1752.23
    DMS 1301.39
    cumene 453.63
    2-octanol 382.08
    2-hexanone 1062.97
    octyl acetate 705.87
    limonene 810.72
    1,2-dimethoxyethane 2133.56
    ethyl orthosilicate 616.27
    tributyl phosphate 495.01
    diacetone alcohol 1378.3
    N,N-dimethylaniline 733.14
    acrylonitrile 1055.44
    aniline 1042.68
    1,3-propanediol 836.21
    bromobenzene 1809.88
    dibromomethane 2976.27
    1,1,2,2-tetrachloroethane 4136.98
    2-methyl-cyclohexyl acetate 1000.85
    tetrabutyl urea 539.82
    diisobutyl methanol 552.6
    2-phenylethanol 936.81
    styrene 769.29
    dioctyl adipate 704.88
    dimethyl sulfate 1080.76
    ethyl butyrate 1355.68
    methyl lactate 649.85
    butyl lactate 562.11
    diethyl carbonate 856.91
    propanediol butyl ether 678.39
    triethyl orthoformate 988.39
    p-tert-butyltoluene 491.58
    methyl 4-tert-butylbenzoate 763.59
    morpholine 3737.62
    tert-butylamine 1328.74
    n-dodecanol 327.4
    dimethoxymethane 2250.2
    ethylene carbonate 1361.91
    cyrene 690.79
    2-ethoxyethyl acetate 1351.45
    2-ethylhexyl acetate 1615.85
    1,2,4-trichlorobenzene 1489.87
    4-methylpyridine 1923.88
    dibutyl ether 1333.53
    2,6-dimethyl-4-heptanol 552.6
    DEF 2125.69
    dimethyl isosorbide 1635.31
    tetrachloroethylene 2502.3
    eugenol 607.81
    triacetin 1067.42
    span 80 793.91
    1,4-butanediol 305.03
    1,1-dichloroethane 3102.96
    2-methyl-1-pentanol 830.64
    methyl formate 749.4
    2-methyl-1-butanol 1227.73
    n-decane 218.19
    butyronitrile 1322.06
    3,7-dimethyl-1-octanol 704.16
    1-chlorooctane 728.87
    1-chlorotetradecane 289.0
    n-nonane 242.22
    undecane 156.01
    tert-butylcyclohexane 422.69
    cyclooctane 480.26
    cyclopentanol 1125.07
    tetrahydropyran 3891.94
    tert-amyl methyl ether 2023.11
    2,5,8-trioxanonane 1481.19
    1-hexene 1409.8
    2-isopropoxyethanol 938.58
    2,2,2-trifluoroethanol 437.59
    methyl butyrate 1320.46

    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
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.03%