3,4-Diethoxybenzaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2029-94-9

    Molecular formula
    C11H14O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 80.47%
    Sweet 80.35%
    Floral 67.07%
    Spicy 55.56%
    Powdery 53.85%
    Creamy 51.43%
    Balsamic 47.08%
    Woody 44.35%
    Anisic 41.95%
    Aromatic 36.48%

     

    Flavor
    Sweet 71.93%
    Vanilla 58.5%
    Floral 50.69%
    Woody 46.64%
    Bitter 45.59%
    Creamy 44.13%
    Spicy 41.59%
    Powdery 41.52%
    Balsam 40.28%
    Flower 34.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.9 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    289°C

    Flash point

    • 121.04 ˚C est.

  • Synonyms

    • 3,4-Diethoxybenzaldehyde
    • Benzaldehyde, 3,4-diethoxy-
    • UNII-1BI625Z66I
    • 1BI625Z66I
    • NSC 6331
    • NSC-6331
    • EINECS 217-979-7
    • AI3-02069
    • DTXSID3062108
    • SSTRYEXQYQGGAS-UHFFFAOYSA-
    • RefChem:91053
    • DTXCID2036249
    • InChI=1/C11H14O3/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-8H,3-4H2,1-2H3
    • SSTRYEXQYQGGAS-UHFFFAOYSA-N
    • 2029-94-9
    • MFCD00016607
    • 3,4-Diethoxy-benzaldehyde
    • NSC6331
    • Benzaldehyde,4-diethoxy-
    • SCHEMBL493684
    • 3-ethoxy-4-ethoxy-benzaldehyde
    • SCHEMBL2119451
    • SCHEMBL30159697
    • 3,4-Diethoxybenzaldehyde, 97%
    • ALBB-001157
    • BBL005135
    • SBB016658
    • STK080608
    • AKOS000179925
    • FD71322
    • AS-12021
    • SY050570
    • DB-045167
    • ST4045705
    • CS-0117177
    • D0451
    • NS00012215
    • EN300-49209
    • D89657
    • F319187
    • Q27252197
    • Z53836956
    • 2029-94-9

  • Applications

    3,4-Diethoxybenzaldehyde is used as a building block and fragrance ingredient in fragrance development and flavor formulations; it may also serve as a component or synthetic precursor in cosmetics and personal care; in household products it can function as a fragrance additive for cleaners and detergents; in industrial contexts it is a precursor for the synthesis of various organic compounds, including dyes and materials used in polymers, coatings, and inks; and it may serve as a precursor for pharmaceutical intermediates or other specialty chemicals in the chemical industry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 109.7
    methanol 189.35
    isopropanol 64.91
    water 0.46
    ethyl acetate 639.72
    n-propanol 78.77
    acetone 855.84
    n-butanol 81.25
    acetonitrile 735.84
    DMF 728.07
    toluene 202.97
    isobutanol 63.33
    1,4-dioxane 600.98
    methyl acetate 661.49
    THF 678.49
    2-butanone 501.88
    n-pentanol 80.89
    sec-butanol 65.65
    n-hexane 31.33
    ethylene glycol 55.55
    NMP 759.59
    cyclohexane 93.5
    DMSO 1037.37
    n-butyl acetate 507.61
    n-octanol 71.31
    chloroform 1788.62
    n-propyl acetate 424.93
    acetic acid 490.37
    dichloromethane 2593.77
    cyclohexanone 762.7
    propylene glycol 37.3
    isopropyl acetate 268.78
    DMAc 606.07
    2-ethoxyethanol 214.7
    isopentanol 86.37
    n-heptane 27.62
    ethyl formate 519.97
    1,2-dichloroethane 1605.45
    n-hexanol 104.41
    2-methoxyethanol 294.9
    isobutyl acetate 209.93
    tetrachloromethane 290.35
    n-pentyl acetate 211.74
    transcutol 520.96
    n-heptanol 56.24
    ethylbenzene 150.64
    MIBK 169.34
    2-propoxyethanol 219.08
    tert-butanol 126.03
    MTBE 171.45
    2-butoxyethanol 129.24
    propionic acid 261.02
    o-xylene 151.8
    formic acid 150.37
    diethyl ether 267.2
    m-xylene 131.71
    p-xylene 222.39
    chlorobenzene 578.68
    dimethyl carbonate 291.85
    n-octane 15.57
    formamide 335.11
    cyclopentanone 869.98
    2-pentanone 340.86
    anisole 318.39
    cyclopentyl methyl ether 268.26
    gamma-butyrolactone 1208.85
    1-methoxy-2-propanol 164.38
    pyridine 770.69
    3-pentanone 347.65
    furfural 1121.94
    n-dodecane 14.07
    diethylene glycol 186.14
    diisopropyl ether 73.99
    tert-amyl alcohol 111.52
    acetylacetone 559.02
    n-hexadecane 16.49
    acetophenone 344.28
    methyl propionate 429.6
    isopentyl acetate 326.37
    trichloroethylene 2722.61
    n-nonanol 64.03
    cyclohexanol 145.31
    benzyl alcohol 219.16
    2-ethylhexanol 100.78
    isooctanol 51.87
    dipropyl ether 160.11
    1,2-dichlorobenzene 571.02
    ethyl lactate 155.39
    propylene carbonate 734.53
    n-methylformamide 420.36
    2-pentanol 55.45
    n-pentane 20.82
    1-propoxy-2-propanol 158.14
    1-methoxy-2-propyl acetate 302.84
    2-(2-methoxypropoxy) propanol 155.98
    mesitylene 98.71
    ε-caprolactone 632.62
    p-cymene 105.08
    epichlorohydrin 1187.46
    1,1,1-trichloroethane 1143.29
    2-aminoethanol 68.52
    morpholine-4-carbaldehyde 601.36
    sulfolane 1246.32
    2,2,4-trimethylpentane 17.46
    2-methyltetrahydrofuran 431.82
    n-hexyl acetate 262.4
    isooctane 11.26
    2-(2-butoxyethoxy)ethanol 176.56
    sec-butyl acetate 219.71
    tert-butyl acetate 235.68
    decalin 50.11
    glycerin 81.93
    diglyme 466.98
    acrylic acid 326.92
    isopropyl myristate 104.54
    n-butyric acid 332.82
    acetyl acetate 523.9
    di(2-ethylhexyl) phthalate 101.15
    ethyl propionate 371.54
    nitromethane 1335.1
    1,2-diethoxyethane 296.44
    benzonitrile 470.51
    trioctyl phosphate 72.28
    1-bromopropane 482.96
    gamma-valerolactone 852.62
    n-decanol 50.56
    triethyl phosphate 172.73
    4-methyl-2-pentanol 43.64
    propionitrile 379.23
    vinylene carbonate 750.22
    1,1,2-trichlorotrifluoroethane 677.42
    DMS 361.88
    cumene 99.86
    2-octanol 47.31
    2-hexanone 299.42
    octyl acetate 128.05
    limonene 141.65
    1,2-dimethoxyethane 586.97
    ethyl orthosilicate 146.74
    tributyl phosphate 106.39
    diacetone alcohol 188.14
    N,N-dimethylaniline 195.8
    acrylonitrile 616.68
    aniline 243.77
    1,3-propanediol 106.51
    bromobenzene 711.02
    dibromomethane 1390.94
    1,1,2,2-tetrachloroethane 1713.93
    2-methyl-cyclohexyl acetate 214.71
    tetrabutyl urea 138.72
    diisobutyl methanol 62.96
    2-phenylethanol 199.28
    styrene 226.51
    dioctyl adipate 166.46
    dimethyl sulfate 452.38
    ethyl butyrate 357.59
    methyl lactate 160.52
    butyl lactate 140.83
    diethyl carbonate 298.75
    propanediol butyl ether 102.55
    triethyl orthoformate 207.0
    p-tert-butyltoluene 94.23
    methyl 4-tert-butylbenzoate 202.72
    morpholine 489.47
    tert-butylamine 80.91
    n-dodecanol 42.69
    dimethoxymethane 414.06
    ethylene carbonate 619.23
    cyrene 205.77
    2-ethoxyethyl acetate 278.16
    2-ethylhexyl acetate 282.73
    1,2,4-trichlorobenzene 608.0
    4-methylpyridine 595.42
    dibutyl ether 150.98
    2,6-dimethyl-4-heptanol 62.96
    DEF 445.24
    dimethyl isosorbide 322.31
    tetrachloroethylene 1197.93
    eugenol 192.98
    triacetin 274.86
    span 80 123.39
    1,4-butanediol 57.16
    1,1-dichloroethane 1105.13
    2-methyl-1-pentanol 92.48
    methyl formate 529.76
    2-methyl-1-butanol 79.53
    n-decane 21.38
    butyronitrile 319.37
    3,7-dimethyl-1-octanol 76.82
    1-chlorooctane 90.71
    1-chlorotetradecane 42.19
    n-nonane 21.1
    undecane 16.6
    tert-butylcyclohexane 34.41
    cyclooctane 29.59
    cyclopentanol 160.16
    tetrahydropyran 428.74
    tert-amyl methyl ether 139.36
    2,5,8-trioxanonane 291.96
    1-hexene 97.53
    2-isopropoxyethanol 152.32
    2,2,2-trifluoroethanol 230.92
    methyl butyrate 540.0

    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