3-Tert-butyl-4-methoxybenzaldehyde

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  • Identifiers

    CAS number
    107430-92-2

    Molecular formula
    C12H16O2

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

  • Odor profile

    Fragrance
    Herbal 65.16%
    Spicy 57.35%
    Woody 55.02%
    Sweet 39.21%
    Phenolic 38.13%
    Dry 34.94%
    Leathery 34.32%
    Floral 32.51%
    Camphoreous 31.91%
    Warm 31.33%

     

    Flavor
    Herbal 53.67%
    Woody 51.46%
    Spicy 38.39%
    Sweet 34.5%
    Bitter 33.72%
    Green 32.8%
    Floral 31.82%
    Phenolic 31.09%
    Minty 30.35%
    Spice 30.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.68 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    281°C

    Flash point

    • 107.82 ˚C est.

  • Synonyms

    • 3-tert-butyl-4-methoxybenzaldehyde
    • 107430-92-2
    • 3-(tert-Butyl)-4-methoxybenzaldehyde
    • DTXSID00396253
    • MFCD01104342
    • Benzaldehyde, 3-(1,1-dimethylethyl)-4-methoxy-
    • SCHEMBL1547486
    • DTXCID30347112
    • KHDRYKVXOFJZGS-UHFFFAOYSA-N
    • 3-(t-Butyl)-4-methoxybenZaldehyde
    • HEA43092
    • STL068213
    • AKOS000503842
    • NCGC00325857-01
    • DB-059636
    • CS-0246295
    • E97727
    • EN300-321664
    • AB01320686-02
    • Z1198156306

  • Applications

    3-Tert-butyl-4-methoxybenzaldehyde is used primarily as a specialty fragrance ingredient and building block in perfumery, contributing woody and anisaldehyde-like notes in fragrance blends. It serves as a building block or intermediate in fragrance chemistry for the synthesis of more complex aroma compounds. In cosmetics and personal care products, it may be employed as a fragrance additive to provide characteristic scent profiles. It also appears in household products as a fragrance component, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 586.09
    methanol 610.54
    isopropanol 492.47
    water 1.52
    ethyl acetate 1862.4
    n-propanol 609.71
    acetone 2805.69
    n-butanol 511.89
    acetonitrile 1974.04
    DMF 2936.07
    toluene 930.16
    isobutanol 475.39
    1,4-dioxane 1623.57
    methyl acetate 2058.56
    THF 3552.3
    2-butanone 2205.88
    n-pentanol 291.43
    sec-butanol 565.25
    n-hexane 118.11
    ethylene glycol 178.76
    NMP 2678.14
    cyclohexane 260.96
    DMSO 2265.61
    n-butyl acetate 1036.35
    n-octanol 275.68
    chloroform 4435.35
    n-propyl acetate 964.85
    acetic acid 855.22
    dichloromethane 5235.22
    cyclohexanone 2887.79
    propylene glycol 241.18
    isopropyl acetate 898.74
    DMAc 1560.13
    2-ethoxyethanol 536.96
    isopentanol 412.69
    n-heptane 75.21
    ethyl formate 1391.26
    1,2-dichloroethane 3454.75
    n-hexanol 484.92
    2-methoxyethanol 1034.07
    isobutyl acetate 515.15
    tetrachloromethane 759.35
    n-pentyl acetate 533.34
    transcutol 1332.2
    n-heptanol 220.05
    ethylbenzene 491.09
    MIBK 796.94
    2-propoxyethanol 763.21
    tert-butanol 619.36
    MTBE 776.48
    2-butoxyethanol 401.11
    propionic acid 1022.73
    o-xylene 564.1
    formic acid 323.63
    diethyl ether 1009.19
    m-xylene 662.71
    p-xylene 582.27
    chlorobenzene 1537.11
    dimethyl carbonate 898.81
    n-octane 35.94
    formamide 706.25
    cyclopentanone 4351.7
    2-pentanone 1726.6
    anisole 943.97
    cyclopentyl methyl ether 1596.43
    gamma-butyrolactone 5003.05
    1-methoxy-2-propanol 824.65
    pyridine 1799.49
    3-pentanone 1462.67
    furfural 2850.26
    n-dodecane 23.76
    diethylene glycol 517.5
    diisopropyl ether 303.91
    tert-amyl alcohol 567.02
    acetylacetone 1794.0
    n-hexadecane 29.43
    acetophenone 929.07
    methyl propionate 1719.76
    isopentyl acetate 743.21
    trichloroethylene 6338.46
    n-nonanol 214.04
    cyclohexanol 812.93
    benzyl alcohol 549.67
    2-ethylhexanol 302.08
    isooctanol 179.83
    dipropyl ether 432.27
    1,2-dichlorobenzene 1345.24
    ethyl lactate 389.78
    propylene carbonate 2322.9
    n-methylformamide 1734.54
    2-pentanol 398.89
    n-pentane 118.55
    1-propoxy-2-propanol 521.25
    1-methoxy-2-propyl acetate 829.7
    2-(2-methoxypropoxy) propanol 367.98
    mesitylene 378.22
    ε-caprolactone 2217.92
    p-cymene 251.03
    epichlorohydrin 4284.72
    1,1,1-trichloroethane 3122.89
    2-aminoethanol 294.61
    morpholine-4-carbaldehyde 1844.71
    sulfolane 4686.95
    2,2,4-trimethylpentane 60.67
    2-methyltetrahydrofuran 2390.84
    n-hexyl acetate 840.95
    isooctane 51.28
    2-(2-butoxyethoxy)ethanol 515.07
    sec-butyl acetate 561.33
    tert-butyl acetate 934.72
    decalin 117.37
    glycerin 335.77
    diglyme 1077.5
    acrylic acid 921.78
    isopropyl myristate 259.27
    n-butyric acid 1131.4
    acetyl acetate 1102.71
    di(2-ethylhexyl) phthalate 224.18
    ethyl propionate 913.69
    nitromethane 2886.1
    1,2-diethoxyethane 541.47
    benzonitrile 1023.51
    trioctyl phosphate 185.52
    1-bromopropane 1552.99
    gamma-valerolactone 3307.9
    n-decanol 154.02
    triethyl phosphate 299.78
    4-methyl-2-pentanol 222.29
    propionitrile 1437.61
    vinylene carbonate 1852.54
    1,1,2-trichlorotrifluoroethane 1777.69
    DMS 896.92
    cumene 286.16
    2-octanol 183.07
    2-hexanone 935.28
    octyl acetate 355.67
    limonene 360.28
    1,2-dimethoxyethane 1140.25
    ethyl orthosilicate 255.24
    tributyl phosphate 238.34
    diacetone alcohol 822.54
    N,N-dimethylaniline 535.14
    acrylonitrile 1894.38
    aniline 874.54
    1,3-propanediol 433.27
    bromobenzene 1764.35
    dibromomethane 3098.95
    1,1,2,2-tetrachloroethane 3798.17
    2-methyl-cyclohexyl acetate 493.21
    tetrabutyl urea 294.09
    diisobutyl methanol 181.16
    2-phenylethanol 548.46
    styrene 627.8
    dioctyl adipate 380.28
    dimethyl sulfate 1506.22
    ethyl butyrate 669.45
    methyl lactate 616.96
    butyl lactate 377.83
    diethyl carbonate 472.5
    propanediol butyl ether 434.49
    triethyl orthoformate 358.47
    p-tert-butyltoluene 240.51
    methyl 4-tert-butylbenzoate 551.05
    morpholine 1799.51
    tert-butylamine 385.92
    n-dodecanol 112.98
    dimethoxymethane 1414.87
    ethylene carbonate 1537.38
    cyrene 571.5
    2-ethoxyethyl acetate 684.38
    2-ethylhexyl acetate 612.93
    1,2,4-trichlorobenzene 1461.64
    4-methylpyridine 1942.32
    dibutyl ether 345.49
    2,6-dimethyl-4-heptanol 181.16
    DEF 1559.45
    dimethyl isosorbide 898.06
    tetrachloroethylene 2293.36
    eugenol 478.0
    triacetin 691.91
    span 80 340.16
    1,4-butanediol 182.1
    1,1-dichloroethane 3356.94
    2-methyl-1-pentanol 273.36
    methyl formate 1725.95
    2-methyl-1-butanol 436.16
    n-decane 47.06
    butyronitrile 1237.95
    3,7-dimethyl-1-octanol 244.25
    1-chlorooctane 284.65
    1-chlorotetradecane 85.82
    n-nonane 50.67
    undecane 32.29
    tert-butylcyclohexane 99.28
    cyclooctane 91.45
    cyclopentanol 1075.89
    tetrahydropyran 2008.69
    tert-amyl methyl ether 587.68
    2,5,8-trioxanonane 605.43
    1-hexene 381.17
    2-isopropoxyethanol 388.93
    2,2,2-trifluoroethanol 522.18
    methyl butyrate 1217.61

    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