3,4-Dimethylbenzaldehyde

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  • Identifiers

    CAS number
    5973-71-7

    Molecular formula
    C9H10O

    SMILES
    CC1=C(C=C(C=C1)C=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 68.82%
    Almond 58.46%
    Cherry 55.44%
    Bitter 51.48%
    Spicy 46.92%
    Phenolic 44.4%
    Fruity 42.76%
    Herbal 40.82%
    Floral 39.69%
    Nutty 37.3%

     

    Flavor
    Cherry 57.44%
    Phenolic 52.07%
    Almond 47.6%
    Sweet 45.16%
    Fruity 38.83%
    Woody 31.68%
    Spicy 29.51%
    Nutty 29.32%
    Vanilla 28.01%
    Spice 27.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.61 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    232°C

    Flash point

    • 90.56 ˚C est.

  • Synonyms

    • 3,4-DIMETHYLBENZALDEHYDE
    • 5973-71-7
    • Benzaldehyde, 3,4-dimethyl-
    • 16G1J12ARB
    • DTXSID2041626
    • DTXCID0021626
    • DMB-aldehyde
    • RefChem:91207
    • 227-770-2
    • MFCD00016612
    • 3,4-DiMethyl-Benzaldehyde
    • 4-Formyl-o-xylene
    • 3 pound not4-dimethylbenzaldehyde
    • o-Xylene-4-carboxaldehyde
    • UNII-16G1J12ARB
    • EINECS 227-770-2
    • 3,4 dimethyl benzaldehyde
    • 3,4-di-methylbenzaldehyde
    • 3,4-Dimethyl benzaldehyde
    • EC 227-770-2
    • SCHEMBL98096
    • SCHEMBL98097
    • CHEMBL3187739
    • SCHEMBL29350085
    • 3,4-Dimethylbenzaldehyde, 98%
    • POQJHLBMLVTHAU-UHFFFAOYSA-
    • CHEBI:167406
    • Tox21_301638
    • MSK161844
    • SBB063355
    • STL185667
    • AKOS009075842
    • AC-3245
    • CS-W013376
    • FD71225
    • PS-4693
    • NCGC00255646-01
    • AC-15539
    • SY004808
    • CAS-5973-71-7
    • DB-024155
    • MSK161844-1000
    • D3334
    • NS00001758
    • ST51038484
    • EN300-22064
    • 973D717
    • A832442
    • F208818
    • doi:10.14272/POQJHLBMLVTHAU-UHFFFAOYSA-N.1
    • Q27251808
    • Z147641440
    • 3,4-Dimethylbenzaldehyde Solution in Acetonitrile, 1000?g/mL
    • InChI=1/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
    • 5973-71-7

  • Applications

    3,4-Dimethylbenzaldehyde (CAS 5973-71-7) is used primarily as a synthetic building block in fragrance and cosmetic formulations, functioning as a fragrance ingredient or odorant with potential to act as a mild fixative in perfumery. It also serves as an intermediate for the synthesis of pharmaceutical and agrochemical compounds, enabling the preparation of biologically active molecules and other intermediates for production processes. As a versatile intermediate, it participates in the manufacture of specialty polymers and coating formulations and can act as a precursor for dyes and pigments used in industrial inks and coatings. In addition, it may be used as an intermediate in the synthesis of other organic compounds for various industrial applications, depending on process conditions and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 693.09
    methanol 371.27
    isopropanol 470.99
    water 2.07
    ethyl acetate 2327.71
    n-propanol 636.63
    acetone 1715.55
    n-butanol 488.09
    acetonitrile 2146.64
    DMF 1743.93
    toluene 443.08
    isobutanol 367.65
    1,4-dioxane 1959.32
    methyl acetate 2185.61
    THF 2243.69
    2-butanone 1895.13
    n-pentanol 240.41
    sec-butanol 422.13
    n-hexane 32.58
    ethylene glycol 107.76
    NMP 999.96
    cyclohexane 44.06
    DMSO 1162.99
    n-butyl acetate 686.4
    n-octanol 107.4
    chloroform 2282.97
    n-propyl acetate 638.85
    acetic acid 469.95
    dichloromethane 3268.22
    cyclohexanone 1328.79
    propylene glycol 131.4
    isopropyl acetate 764.75
    DMAc 944.66
    2-ethoxyethanol 509.57
    isopentanol 335.74
    n-heptane 35.55
    ethyl formate 1061.71
    1,2-dichloroethane 2421.31
    n-hexanol 353.19
    2-methoxyethanol 1008.98
    isobutyl acetate 279.95
    tetrachloromethane 310.33
    n-pentyl acetate 255.73
    transcutol 1497.26
    n-heptanol 126.29
    ethylbenzene 207.71
    MIBK 465.16
    2-propoxyethanol 690.9
    tert-butanol 513.24
    MTBE 688.71
    2-butoxyethanol 308.13
    propionic acid 721.42
    o-xylene 222.25
    formic acid 186.68
    diethyl ether 1261.07
    m-xylene 253.2
    p-xylene 242.23
    chlorobenzene 694.68
    dimethyl carbonate 550.52
    n-octane 16.28
    formamide 649.23
    cyclopentanone 2191.67
    2-pentanone 1238.78
    anisole 543.73
    cyclopentyl methyl ether 761.75
    gamma-butyrolactone 2625.27
    1-methoxy-2-propanol 703.04
    pyridine 1445.71
    3-pentanone 1110.86
    furfural 1319.0
    n-dodecane 11.67
    diethylene glycol 399.79
    diisopropyl ether 195.87
    tert-amyl alcohol 399.13
    acetylacetone 1183.83
    n-hexadecane 13.93
    acetophenone 406.06
    methyl propionate 1688.07
    isopentyl acetate 477.65
    trichloroethylene 3770.52
    n-nonanol 98.06
    cyclohexanol 286.6
    benzyl alcohol 283.71
    2-ethylhexanol 187.56
    isooctanol 105.7
    dipropyl ether 341.71
    1,2-dichlorobenzene 540.38
    ethyl lactate 191.95
    propylene carbonate 888.47
    n-methylformamide 1264.51
    2-pentanol 299.59
    n-pentane 34.19
    1-propoxy-2-propanol 426.21
    1-methoxy-2-propyl acetate 652.77
    2-(2-methoxypropoxy) propanol 262.06
    mesitylene 134.21
    ε-caprolactone 1100.37
    p-cymene 103.95
    epichlorohydrin 3226.4
    1,1,1-trichloroethane 1763.92
    2-aminoethanol 258.8
    morpholine-4-carbaldehyde 1134.77
    sulfolane 1430.85
    2,2,4-trimethylpentane 20.73
    2-methyltetrahydrofuran 1481.07
    n-hexyl acetate 347.05
    isooctane 19.97
    2-(2-butoxyethoxy)ethanol 386.8
    sec-butyl acetate 369.19
    tert-butyl acetate 624.87
    decalin 32.15
    glycerin 172.9
    diglyme 892.81
    acrylic acid 521.3
    isopropyl myristate 126.81
    n-butyric acid 865.55
    acetyl acetate 809.0
    di(2-ethylhexyl) phthalate 101.48
    ethyl propionate 703.38
    nitromethane 2050.96
    1,2-diethoxyethane 674.65
    benzonitrile 469.44
    trioctyl phosphate 74.81
    1-bromopropane 963.35
    gamma-valerolactone 2094.3
    n-decanol 75.31
    triethyl phosphate 158.43
    4-methyl-2-pentanol 149.93
    propionitrile 1296.58
    vinylene carbonate 858.24
    1,1,2-trichlorotrifluoroethane 763.87
    DMS 410.22
    cumene 117.9
    2-octanol 81.83
    2-hexanone 519.44
    octyl acetate 160.52
    limonene 144.41
    1,2-dimethoxyethane 969.51
    ethyl orthosilicate 152.41
    tributyl phosphate 102.52
    diacetone alcohol 539.18
    N,N-dimethylaniline 244.45
    acrylonitrile 1543.6
    aniline 502.46
    1,3-propanediol 439.89
    bromobenzene 721.11
    dibromomethane 1713.33
    1,1,2,2-tetrachloroethane 1974.91
    2-methyl-cyclohexyl acetate 241.57
    tetrabutyl urea 123.4
    diisobutyl methanol 108.79
    2-phenylethanol 322.37
    styrene 268.37
    dioctyl adipate 176.17
    dimethyl sulfate 640.12
    ethyl butyrate 492.47
    methyl lactate 327.72
    butyl lactate 159.0
    diethyl carbonate 317.1
    propanediol butyl ether 188.83
    triethyl orthoformate 243.74
    p-tert-butyltoluene 104.1
    methyl 4-tert-butylbenzoate 262.61
    morpholine 1985.07
    tert-butylamine 278.92
    n-dodecanol 58.18
    dimethoxymethane 1164.76
    ethylene carbonate 705.49
    cyrene 248.49
    2-ethoxyethyl acetate 495.31
    2-ethylhexyl acetate 360.35
    1,2,4-trichlorobenzene 598.4
    4-methylpyridine 1238.56
    dibutyl ether 193.77
    2,6-dimethyl-4-heptanol 108.79
    DEF 1133.01
    dimethyl isosorbide 544.23
    tetrachloroethylene 1145.59
    eugenol 257.93
    triacetin 294.92
    span 80 184.67
    1,4-butanediol 120.92
    1,1-dichloroethane 2174.32
    2-methyl-1-pentanol 208.62
    methyl formate 994.59
    2-methyl-1-butanol 322.09
    n-decane 19.28
    butyronitrile 934.0
    3,7-dimethyl-1-octanol 122.36
    1-chlorooctane 102.83
    1-chlorotetradecane 39.6
    n-nonane 18.48
    undecane 14.63
    tert-butylcyclohexane 33.11
    cyclooctane 17.08
    cyclopentanol 422.24
    tetrahydropyran 1432.07
    tert-amyl methyl ether 416.12
    2,5,8-trioxanonane 493.0
    1-hexene 175.6
    2-isopropoxyethanol 339.83
    2,2,2-trifluoroethanol 276.65
    methyl butyrate 826.4

    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