2,4,6-Triethoxybenzaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    59652-88-9

    Molecular formula
    C13H18O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 66.99%
    Floral 52.59%
    Fruity 50.66%
    Spicy 47.94%
    Vanilla 40.22%
    Herbal 35.76%
    Anisic 33.24%
    Woody 31.66%
    Powdery 29.89%
    Warm 29.72%

     

    Flavor
    Bitter 50.29%
    Fruity 40.94%
    Floral 24.04%
    Balsam 21.99%
    Aniseed 21.83%
    Parsley 21.61%
    Tarragon 21.43%
    Mild 20.8%
    Ethyl benzoate 20.74%
    Heather 20.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.33 (neutral)

    Molecular weight
    238.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point

    • 132.28 ˚C est.

  • Synonyms

    • 2,4,6-triethoxybenzaldehyde
    • DTXSID30302584
    • RefChem:442899
    • DTXCID20253718
    • 654-141-3
    • 59652-88-9
    • MFCD00016586
    • PHLOROGLUCINOL ALDEHYDE TRIETHYLETHER
    • Phloroglucinol Aldehyde Triethyl Ether
    • NSC151974
    • orb1992063
    • SCHEMBL2700871
    • SCHEMBL2700873
    • AKOS027383373
    • FP70476
    • NSC-151974
    • DB-053434
    • 59652-88-9

  • Applications

    2,4,6-Triethoxybenzaldehyde (CAS 59652-88-9) is primarily used as an intermediate and fragrance ingredient in fragrance chemistry, often as a precursor to aroma compounds and odorants for perfumes and personal care products. It is also employed as a building block in polymer and coating chemistries, where the aldehyde group participates in condensations to form resins and crosslinked networks for coatings, inks, and adhesives. In addition, it can be used as an intermediate in the synthesis of dyes and related organic materials for plastics and organic electronic applications, with usage governed by formulation needs and local regulations. It may be evaluated for cosmetics and skincare formulations as a fragrance component, depending on regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 94.36
    methanol 128.51
    isopropanol 54.0
    water 1.26
    ethyl acetate 249.77
    n-propanol 65.19
    acetone 420.51
    n-butanol 58.44
    acetonitrile 175.22
    DMF 685.72
    toluene 107.7
    isobutanol 52.51
    1,4-dioxane 345.19
    methyl acetate 263.89
    THF 740.31
    2-butanone 198.66
    n-pentanol 39.06
    sec-butanol 43.63
    n-hexane 9.33
    ethylene glycol 79.07
    NMP 1099.92
    cyclohexane 41.81
    DMSO 668.68
    n-butyl acetate 126.05
    n-octanol 26.58
    chloroform 934.77
    n-propyl acetate 113.62
    acetic acid 354.73
    dichloromethane 1057.92
    cyclohexanone 494.53
    propylene glycol 60.39
    isopropyl acetate 139.81
    DMAc 632.24
    2-ethoxyethanol 95.25
    isopentanol 52.46
    n-heptane 8.14
    ethyl formate 180.03
    1,2-dichloroethane 679.16
    n-hexanol 45.72
    2-methoxyethanol 236.07
    isobutyl acetate 81.79
    tetrachloromethane 138.35
    n-pentyl acetate 76.58
    transcutol 235.72
    n-heptanol 23.16
    ethylbenzene 50.4
    MIBK 92.45
    2-propoxyethanol 133.32
    tert-butanol 73.84
    MTBE 74.61
    2-butoxyethanol 63.72
    propionic acid 178.69
    o-xylene 76.53
    formic acid 157.67
    diethyl ether 86.93
    m-xylene 72.27
    p-xylene 75.14
    chlorobenzene 285.53
    dimethyl carbonate 223.02
    n-octane 4.04
    formamide 234.07
    cyclopentanone 789.43
    2-pentanone 161.81
    anisole 127.08
    cyclopentyl methyl ether 245.83
    gamma-butyrolactone 1000.71
    1-methoxy-2-propanol 136.76
    pyridine 405.02
    3-pentanone 158.7
    furfural 784.1
    n-dodecane 4.65
    diethylene glycol 158.98
    diisopropyl ether 29.59
    tert-amyl alcohol 54.05
    acetylacetone 390.69
    n-hexadecane 5.56
    acetophenone 154.66
    methyl propionate 246.97
    isopentyl acetate 117.12
    trichloroethylene 1309.85
    n-nonanol 26.02
    cyclohexanol 119.56
    benzyl alcohol 106.41
    2-ethylhexanol 38.21
    isooctanol 21.17
    dipropyl ether 53.59
    1,2-dichlorobenzene 300.74
    ethyl lactate 80.4
    propylene carbonate 518.79
    n-methylformamide 272.76
    2-pentanol 34.75
    n-pentane 7.81
    1-propoxy-2-propanol 80.55
    1-methoxy-2-propyl acetate 174.73
    2-(2-methoxypropoxy) propanol 96.97
    mesitylene 51.22
    ε-caprolactone 394.53
    p-cymene 41.41
    epichlorohydrin 873.6
    1,1,1-trichloroethane 544.16
    2-aminoethanol 79.95
    morpholine-4-carbaldehyde 589.08
    sulfolane 1165.83
    2,2,4-trimethylpentane 7.73
    2-methyltetrahydrofuran 356.66
    n-hexyl acetate 104.18
    isooctane 5.44
    2-(2-butoxyethoxy)ethanol 98.51
    sec-butyl acetate 77.43
    tert-butyl acetate 139.93
    decalin 21.71
    glycerin 125.38
    diglyme 218.67
    acrylic acid 245.68
    isopropyl myristate 47.44
    n-butyric acid 202.85
    acetyl acetate 313.94
    di(2-ethylhexyl) phthalate 68.99
    ethyl propionate 127.02
    nitromethane 698.88
    1,2-diethoxyethane 89.4
    benzonitrile 167.53
    trioctyl phosphate 43.26
    1-bromopropane 180.25
    gamma-valerolactone 749.35
    n-decanol 20.95
    triethyl phosphate 94.66
    4-methyl-2-pentanol 24.84
    propionitrile 105.22
    vinylene carbonate 477.24
    1,1,2-trichlorotrifluoroethane 621.68
    DMS 219.18
    cumene 38.73
    2-octanol 16.36
    2-hexanone 91.48
    octyl acetate 59.95
    limonene 62.6
    1,2-dimethoxyethane 215.42
    ethyl orthosilicate 77.94
    tributyl phosphate 65.29
    diacetone alcohol 135.22
    N,N-dimethylaniline 91.66
    acrylonitrile 187.96
    aniline 159.83
    1,3-propanediol 102.99
    bromobenzene 324.2
    dibromomethane 570.22
    1,1,2,2-tetrachloroethane 977.96
    2-methyl-cyclohexyl acetate 116.41
    tetrabutyl urea 85.73
    diisobutyl methanol 28.07
    2-phenylethanol 100.18
    styrene 73.46
    dioctyl adipate 92.58
    dimethyl sulfate 446.59
    ethyl butyrate 116.98
    methyl lactate 163.03
    butyl lactate 68.07
    diethyl carbonate 112.7
    propanediol butyl ether 56.34
    triethyl orthoformate 88.74
    p-tert-butyltoluene 40.57
    methyl 4-tert-butylbenzoate 120.6
    morpholine 340.43
    tert-butylamine 44.69
    n-dodecanol 18.17
    dimethoxymethane 303.99
    ethylene carbonate 361.92
    cyrene 168.38
    2-ethoxyethyl acetate 127.83
    2-ethylhexyl acetate 97.44
    1,2,4-trichlorobenzene 362.29
    4-methylpyridine 317.78
    dibutyl ether 45.09
    2,6-dimethyl-4-heptanol 28.07
    DEF 260.85
    dimethyl isosorbide 245.53
    tetrachloroethylene 660.92
    eugenol 108.81
    triacetin 156.09
    span 80 84.13
    1,4-butanediol 40.84
    1,1-dichloroethane 436.51
    2-methyl-1-pentanol 40.36
    methyl formate 302.14
    2-methyl-1-butanol 50.89
    n-decane 6.64
    butyronitrile 96.95
    3,7-dimethyl-1-octanol 31.8
    1-chlorooctane 33.12
    1-chlorotetradecane 17.13
    n-nonane 5.96
    undecane 5.35
    tert-butylcyclohexane 15.86
    cyclooctane 11.1
    cyclopentanol 163.4
    tetrahydropyran 278.99
    tert-amyl methyl ether 64.9
    2,5,8-trioxanonane 171.5
    1-hexene 29.99
    2-isopropoxyethanol 65.48
    2,2,2-trifluoroethanol 217.44
    methyl butyrate 162.65

    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