2,4,5-Trimethylbenzaldehyde

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  • Identifiers

    CAS number
    5779-72-6

    Molecular formula
    C10H12O

    SMILES
    CC1=CC(=C(C=C1C)C=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 55.4%
    Spicy 44.56%
    Phenolic 43.77%
    Herbal 38.31%
    Floral 35.84%
    Almond 35.75%
    Bitter 34.46%
    Nutty 34.34%
    Powdery 33.68%
    Hay 33.24%

     

    Flavor
    Phenolic 42.16%
    Woody 30.28%
    Medicinal 27.3%
    Nutty 26.75%
    Sweet 26.68%
    Cherry 26.51%
    Spicy 26.12%
    Almond 25.96%
    Bitter 25.61%
    Spice 24.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.62 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    241°C

    Melting point expt.

    • 43.5 °C

    Flash point

    • 103.86 ˚C est.

  • Synonyms

    • 2,4,5-TRIMETHYLBENZALDEHYDE
    • 5779-72-6
    • Duryl aldehyde
    • DTXSID80206482
    • RefChem:82046
    • DTXCID80128973
    • 678-621-7
    • Duraldehyde
    • Durylaldehyde
    • MFCD00017713
    • Benzaldehyde, 2,4,5-trimethyl-
    • 2,4,5-TriMethyl-Benzaldehyde
    • SCHEMBL97116
    • SCHEMBL97117
    • LROJZZICACKNJL-UHFFFAOYSA-
    • CHEBI:192931
    • 2,4,5-Trimethylbenzaldehyde, 90%
    • AKOS000121425
    • EBC-618218
    • FT71344
    • SB85343
    • AS-59115
    • SY051939
    • DB-053105
    • CS-0153299
    • T1411
    • EN300-21146
    • D94696
    • Q67879856
    • 2,4,5-Trimethylbenzaldehyde; Duraldehyde; Durylaldehyde
    • Z104492886
    • InChI=1/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3
    • 5779-72-6

  • Applications

    2,4,5-Trimethylbenzaldehyde (CAS 5779-72-6) is primarily used as an aroma chemical and a synthetic intermediate in fragrance production, contributing woody and green notes and serving as a building block for additional aroma compounds. It may be used as a fragrance ingredient in cosmetics and personal care products, as well as in household cleaners and air-freshening formulations. In industrial manufacturing it acts as a chemical intermediate for the synthesis of dyes, resins, and other specialty chemicals, and can serve as a precursor in polymer or plastic formulations where aromatic aldehyde functionality is desired. Additionally, it may be evaluated for flavor/aroma applications in regulated contexts, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 835.85
    methanol 591.44
    isopropanol 626.96
    water 2.95
    ethyl acetate 1878.56
    n-propanol 826.12
    acetone 1913.35
    n-butanol 636.37
    acetonitrile 2651.75
    DMF 1912.44
    toluene 726.03
    isobutanol 514.34
    1,4-dioxane 3169.22
    methyl acetate 1933.15
    THF 3698.31
    2-butanone 2027.76
    n-pentanol 373.99
    sec-butanol 561.23
    n-hexane 153.92
    ethylene glycol 111.98
    NMP 1314.87
    cyclohexane 186.24
    DMSO 1311.67
    n-butyl acetate 811.7
    n-octanol 197.15
    chloroform 3125.97
    n-propyl acetate 725.64
    acetic acid 449.08
    dichloromethane 3847.08
    cyclohexanone 1988.73
    propylene glycol 123.62
    isopropyl acetate 740.84
    DMAc 820.34
    2-ethoxyethanol 593.43
    isopentanol 437.88
    n-heptane 96.14
    ethyl formate 1008.39
    1,2-dichloroethane 3019.56
    n-hexanol 579.24
    2-methoxyethanol 1045.95
    isobutyl acetate 357.04
    tetrachloromethane 542.05
    n-pentyl acetate 366.53
    transcutol 1132.85
    n-heptanol 223.23
    ethylbenzene 394.01
    MIBK 576.1
    2-propoxyethanol 896.4
    tert-butanol 669.57
    MTBE 1036.31
    2-butoxyethanol 389.98
    propionic acid 682.69
    o-xylene 368.16
    formic acid 162.48
    diethyl ether 1868.15
    m-xylene 420.1
    p-xylene 438.36
    chlorobenzene 905.53
    dimethyl carbonate 523.49
    n-octane 49.49
    formamide 542.46
    cyclopentanone 2968.41
    2-pentanone 1395.21
    anisole 708.59
    cyclopentyl methyl ether 1477.01
    gamma-butyrolactone 3049.64
    1-methoxy-2-propanol 819.1
    pyridine 1794.6
    3-pentanone 1245.3
    furfural 1379.46
    n-dodecane 29.19
    diethylene glycol 436.1
    diisopropyl ether 340.59
    tert-amyl alcohol 532.22
    acetylacetone 1068.18
    n-hexadecane 35.28
    acetophenone 483.76
    methyl propionate 1426.59
    isopentyl acetate 594.88
    trichloroethylene 3997.88
    n-nonanol 175.48
    cyclohexanol 573.23
    benzyl alcohol 364.04
    2-ethylhexanol 290.35
    isooctanol 175.21
    dipropyl ether 571.94
    1,2-dichlorobenzene 659.34
    ethyl lactate 205.26
    propylene carbonate 974.77
    n-methylformamide 1394.29
    2-pentanol 453.18
    n-pentane 122.01
    1-propoxy-2-propanol 552.34
    1-methoxy-2-propyl acetate 660.43
    2-(2-methoxypropoxy) propanol 276.46
    mesitylene 247.19
    ε-caprolactone 1376.85
    p-cymene 161.68
    epichlorohydrin 3781.02
    1,1,1-trichloroethane 2213.5
    2-aminoethanol 261.64
    morpholine-4-carbaldehyde 1335.45
    sulfolane 1961.85
    2,2,4-trimethylpentane 49.54
    2-methyltetrahydrofuran 2409.48
    n-hexyl acetate 518.98
    isooctane 49.49
    2-(2-butoxyethoxy)ethanol 415.66
    sec-butyl acetate 420.63
    tert-butyl acetate 676.77
    decalin 92.2
    glycerin 156.45
    diglyme 910.45
    acrylic acid 453.52
    isopropyl myristate 192.23
    n-butyric acid 812.6
    acetyl acetate 669.65
    di(2-ethylhexyl) phthalate 129.41
    ethyl propionate 735.09
    nitromethane 1890.09
    1,2-diethoxyethane 760.22
    benzonitrile 593.44
    trioctyl phosphate 109.45
    1-bromopropane 1528.09
    gamma-valerolactone 2665.01
    n-decanol 133.34
    triethyl phosphate 193.58
    4-methyl-2-pentanol 214.53
    propionitrile 1710.49
    vinylene carbonate 874.7
    1,1,2-trichlorotrifluoroethane 779.36
    DMS 455.62
    cumene 215.99
    2-octanol 162.72
    2-hexanone 755.84
    octyl acetate 240.61
    limonene 242.38
    1,2-dimethoxyethane 1234.34
    ethyl orthosilicate 190.69
    tributyl phosphate 139.02
    diacetone alcohol 567.6
    N,N-dimethylaniline 357.94
    acrylonitrile 1770.57
    aniline 655.38
    1,3-propanediol 449.25
    bromobenzene 974.6
    dibromomethane 2312.89
    1,1,2,2-tetrachloroethane 2328.37
    2-methyl-cyclohexyl acetate 320.09
    tetrabutyl urea 172.06
    diisobutyl methanol 167.52
    2-phenylethanol 432.75
    styrene 454.91
    dioctyl adipate 227.29
    dimethyl sulfate 614.85
    ethyl butyrate 532.85
    methyl lactate 308.08
    butyl lactate 207.18
    diethyl carbonate 325.68
    propanediol butyl ether 233.56
    triethyl orthoformate 300.19
    p-tert-butyltoluene 166.77
    methyl 4-tert-butylbenzoate 330.99
    morpholine 3044.26
    tert-butylamine 438.52
    n-dodecanol 101.36
    dimethoxymethane 1354.28
    ethylene carbonate 791.17
    cyrene 291.34
    2-ethoxyethyl acetate 507.25
    2-ethylhexyl acetate 454.42
    1,2,4-trichlorobenzene 693.83
    4-methylpyridine 1527.84
    dibutyl ether 364.54
    2,6-dimethyl-4-heptanol 167.52
    DEF 1236.2
    dimethyl isosorbide 607.26
    tetrachloroethylene 1505.81
    eugenol 306.04
    triacetin 319.95
    span 80 234.57
    1,4-butanediol 143.94
    1,1-dichloroethane 2725.55
    2-methyl-1-pentanol 294.36
    methyl formate 1071.84
    2-methyl-1-butanol 444.92
    n-decane 52.68
    butyronitrile 1241.71
    3,7-dimethyl-1-octanol 182.75
    1-chlorooctane 221.58
    1-chlorotetradecane 78.95
    n-nonane 54.78
    undecane 38.47
    tert-butylcyclohexane 84.76
    cyclooctane 72.19
    cyclopentanol 770.63
    tetrahydropyran 2704.44
    tert-amyl methyl ether 629.9
    2,5,8-trioxanonane 499.58
    1-hexene 487.5
    2-isopropoxyethanol 399.1
    2,2,2-trifluoroethanol 261.26
    methyl butyrate 883.65

    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