3,4,5-Trimethylbenzaldehyde

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  • Identifiers

    CAS number
    5779-74-8

    Molecular formula
    C10H12O

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

    Safety labels

  • Odor profile

    Fragrance
    Green 48.18%
    Spicy 43.8%
    Herbal 42.98%
    Sweet 40.01%
    Phenolic 38.9%
    Floral 33.04%
    Woody 32.05%
    Nutty 29.55%
    Dry 28.82%
    Leathery 28.73%

     

    Flavor
    Phenolic 40.69%
    Woody 40.32%
    Sweet 30.83%
    Spicy 30.51%
    Cherry 28.36%
    Spice 26.57%
    Tobacco 25.51%
    Nutty 25.44%
    Medicinal 24.7%
    Almond 24.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.92 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Melting point expt.

    • 52 °C

    Flash point

    • 101.18 ˚C est.

  • Synonyms

    • 3,4,5-trimethylbenzaldehyde
    • 5779-74-8
    • DTXSID50484578
    • RefChem:1065690
    • DTXCID50435388
    • Benzaldehyde, 3,4,5-trimethyl-
    • 5-Aldehydohemimellitene
    • SCHEMBL814444
    • SCHEMBL1312596
    • CHEBI:195892
    • AKOS006332100
    • E10158
    • 5779-74-8

  • Applications

    3,4,5-Trimethylbenzaldehyde (CAS 5779-74-8) is primarily used as an aroma chemical and fragrance ingredient in perfumery, and as a precursor for the synthesis of other aroma compounds. It is commonly employed as a fragrance intermediate in the fragrance industry and appears in cosmetics and personal care products as a fragrance component. Additionally, it may be used in household products and cleaners as a fragrance ingredient or precursor for specialty fragrance formulations. In industrial manufacturing, it is used in coating and ink systems and in certain polymer formulations to impart or modify odor profiles. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 597.54
    methanol 523.79
    isopropanol 309.14
    water 2.11
    ethyl acetate 1507.01
    n-propanol 493.57
    acetone 1216.35
    n-butanol 379.67
    acetonitrile 1458.26
    DMF 1284.95
    toluene 500.62
    isobutanol 259.41
    1,4-dioxane 2207.72
    methyl acetate 1332.65
    THF 2456.36
    2-butanone 1203.69
    n-pentanol 200.56
    sec-butanol 270.64
    n-hexane 45.28
    ethylene glycol 82.82
    NMP 889.75
    cyclohexane 63.62
    DMSO 916.34
    n-butyl acetate 591.87
    n-octanol 93.7
    chloroform 1919.0
    n-propyl acetate 455.59
    acetic acid 313.99
    dichloromethane 2702.89
    cyclohexanone 1201.77
    propylene glycol 72.94
    isopropyl acetate 511.48
    DMAc 617.15
    2-ethoxyethanol 402.83
    isopentanol 249.97
    n-heptane 43.13
    ethyl formate 762.38
    1,2-dichloroethane 2206.24
    n-hexanol 341.34
    2-methoxyethanol 799.36
    isobutyl acetate 216.79
    tetrachloromethane 313.19
    n-pentyl acetate 228.98
    transcutol 1068.95
    n-heptanol 121.26
    ethylbenzene 210.52
    MIBK 359.68
    2-propoxyethanol 653.9
    tert-butanol 376.33
    MTBE 542.91
    2-butoxyethanol 263.57
    propionic acid 403.34
    o-xylene 226.48
    formic acid 155.32
    diethyl ether 1165.83
    m-xylene 264.48
    p-xylene 231.29
    chlorobenzene 640.17
    dimethyl carbonate 410.41
    n-octane 18.86
    formamide 499.45
    cyclopentanone 2011.51
    2-pentanone 913.4
    anisole 506.58
    cyclopentyl methyl ether 886.7
    gamma-butyrolactone 2242.95
    1-methoxy-2-propanol 518.11
    pyridine 1317.06
    3-pentanone 786.03
    furfural 1108.9
    n-dodecane 11.89
    diethylene glycol 350.13
    diisopropyl ether 189.07
    tert-amyl alcohol 276.42
    acetylacetone 808.97
    n-hexadecane 14.33
    acetophenone 329.83
    methyl propionate 1131.08
    isopentyl acetate 416.64
    trichloroethylene 2822.18
    n-nonanol 87.39
    cyclohexanol 261.29
    benzyl alcohol 242.09
    2-ethylhexanol 175.31
    isooctanol 97.87
    dipropyl ether 328.87
    1,2-dichlorobenzene 497.89
    ethyl lactate 129.83
    propylene carbonate 685.72
    n-methylformamide 999.26
    2-pentanol 216.07
    n-pentane 45.24
    1-propoxy-2-propanol 353.67
    1-methoxy-2-propyl acetate 534.18
    2-(2-methoxypropoxy) propanol 203.7
    mesitylene 147.74
    ε-caprolactone 939.82
    p-cymene 106.65
    epichlorohydrin 3003.68
    1,1,1-trichloroethane 1407.73
    2-aminoethanol 178.14
    morpholine-4-carbaldehyde 1076.54
    sulfolane 1311.48
    2,2,4-trimethylpentane 21.44
    2-methyltetrahydrofuran 1431.85
    n-hexyl acetate 300.45
    isooctane 21.33
    2-(2-butoxyethoxy)ethanol 309.92
    sec-butyl acetate 264.4
    tert-butyl acetate 481.29
    decalin 38.58
    glycerin 107.63
    diglyme 719.1
    acrylic acid 299.71
    isopropyl myristate 111.56
    n-butyric acid 549.97
    acetyl acetate 536.42
    di(2-ethylhexyl) phthalate 89.98
    ethyl propionate 488.06
    nitromethane 1358.85
    1,2-diethoxyethane 588.56
    benzonitrile 405.28
    trioctyl phosphate 69.12
    1-bromopropane 888.5
    gamma-valerolactone 1923.59
    n-decanol 65.03
    triethyl phosphate 138.04
    4-methyl-2-pentanol 114.15
    propionitrile 974.28
    vinylene carbonate 680.27
    1,1,2-trichlorotrifluoroethane 548.76
    DMS 321.0
    cumene 118.83
    2-octanol 75.47
    2-hexanone 422.17
    octyl acetate 138.48
    limonene 149.27
    1,2-dimethoxyethane 867.5
    ethyl orthosilicate 137.08
    tributyl phosphate 88.23
    diacetone alcohol 393.82
    N,N-dimethylaniline 226.15
    acrylonitrile 1071.16
    aniline 452.86
    1,3-propanediol 320.92
    bromobenzene 683.05
    dibromomethane 1533.46
    1,1,2,2-tetrachloroethane 1507.74
    2-methyl-cyclohexyl acetate 221.17
    tetrabutyl urea 109.53
    diisobutyl methanol 100.4
    2-phenylethanol 319.02
    styrene 271.28
    dioctyl adipate 151.23
    dimethyl sulfate 449.52
    ethyl butyrate 398.73
    methyl lactate 209.52
    butyl lactate 129.93
    diethyl carbonate 243.85
    propanediol butyl ether 148.68
    triethyl orthoformate 215.74
    p-tert-butyltoluene 108.15
    methyl 4-tert-butylbenzoate 226.63
    morpholine 2073.82
    tert-butylamine 233.39
    n-dodecanol 49.88
    dimethoxymethane 1166.74
    ethylene carbonate 595.79
    cyrene 212.32
    2-ethoxyethyl acetate 404.79
    2-ethylhexyl acetate 326.38
    1,2,4-trichlorobenzene 508.18
    4-methylpyridine 1083.66
    dibutyl ether 185.0
    2,6-dimethyl-4-heptanol 100.4
    DEF 849.26
    dimethyl isosorbide 488.78
    tetrachloroethylene 998.6
    eugenol 214.89
    triacetin 219.8
    span 80 153.81
    1,4-butanediol 90.29
    1,1-dichloroethane 1668.42
    2-methyl-1-pentanol 163.17
    methyl formate 792.33
    2-methyl-1-butanol 236.08
    n-decane 21.03
    butyronitrile 742.2
    3,7-dimethyl-1-octanol 99.99
    1-chlorooctane 99.93
    1-chlorotetradecane 37.91
    n-nonane 20.44
    undecane 15.41
    tert-butylcyclohexane 37.58
    cyclooctane 25.27
    cyclopentanol 373.46
    tetrahydropyran 1589.37
    tert-amyl methyl ether 356.95
    2,5,8-trioxanonane 388.97
    1-hexene 175.55
    2-isopropoxyethanol 254.82
    2,2,2-trifluoroethanol 180.95
    methyl butyrate 550.11

    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