2,5-Dimethylbenzaldehyde

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  • Identifiers

    CAS number
    5779-94-2

    Molecular formula
    C9H10O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 82.64%
    Almond 67.33%
    Cherry 64.49%
    Bitter 57.18%
    Phenolic 50.34%
    Spicy 48.78%
    Powdery 44.85%
    Coumarinic 42.75%
    Floral 42.52%
    Nutty 41.28%

     

    Flavor
    Phenolic 52.84%
    Cherry 52.35%
    Almond 45.27%
    Sweet 39.24%
    Woody 31.4%
    Medicinal 29.21%
    Fruity 28.64%
    Vanilla 28.53%
    Spice 28.21%
    Mimosa 28.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.42 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point

    • 88.87 ˚C est.

  • Synonyms

    • 2,5-DIMETHYLBENZALDEHYDE
    • 5779-94-2
    • Isoxylaldehyde
    • 6M224X1615
    • DTXSID0075449
    • RefChem:444563
    • DTXCID4042258
    • 227-303-2
    • Benzaldehyde, 2,5-dimethyl-
    • MFCD00003342
    • 2,5-DiMethyl-Benzaldehyde
    • UNII-6M224X1615
    • EINECS 227-303-2
    • YSWG666
    • SCHEMBL268706
    • orb3023480
    • SCHEMBL1314814
    • 2,5-Dimethylbenzaldehyde, 99%
    • CHEBI:173203
    • SBB008435
    • AKOS000120289
    • FD61423
    • AC-28485
    • AS-58131
    • SY017911
    • DB-024140
    • CS-0153345
    • NS00033792
    • ST51037963
    • EN300-20658
    • F329590
    • Q27265131
    • Z104479610
    • InChI=1/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H
    • 5779-94-2

  • Applications

    2,5-Dimethylbenzaldehyde (CAS 5779-94-2) is primarily used as an intermediate and building block in the synthesis of fragrance and flavor compounds, providing a precursor for aroma profiles in perfumery and flavor applications. It also serves in cosmetics and personal care formulations as a fragrance material or synthetic intermediate. In industrial manufacturing, it can be used as a starting point for synthesizing specialty chemicals for polymers and coatings, including intermediates for colorants and surface finishes. Additionally, it may be employed as a precursor for other organic intermediates used in electronics and related materials, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 589.19
    methanol 488.22
    isopropanol 511.7
    water 5.25
    ethyl acetate 954.33
    n-propanol 590.33
    acetone 1119.13
    n-butanol 454.3
    acetonitrile 1142.63
    DMF 1273.32
    toluene 319.93
    isobutanol 405.23
    1,4-dioxane 1693.07
    methyl acetate 1088.53
    THF 1480.31
    2-butanone 1154.45
    n-pentanol 298.63
    sec-butanol 423.58
    n-hexane 96.06
    ethylene glycol 144.73
    NMP 609.02
    cyclohexane 85.41
    DMSO 843.97
    n-butyl acetate 447.9
    n-octanol 213.2
    chloroform 1540.77
    n-propyl acetate 422.26
    acetic acid 349.48
    dichloromethane 1554.03
    cyclohexanone 892.98
    propylene glycol 169.81
    isopropyl acetate 398.75
    DMAc 592.83
    2-ethoxyethanol 470.51
    isopentanol 335.23
    n-heptane 59.98
    ethyl formate 582.44
    1,2-dichloroethane 1195.04
    n-hexanol 461.1
    2-methoxyethanol 762.58
    isobutyl acetate 246.45
    tetrachloromethane 235.07
    n-pentyl acetate 228.61
    transcutol 822.99
    n-heptanol 212.35
    ethylbenzene 231.04
    MIBK 369.35
    2-propoxyethanol 662.23
    tert-butanol 496.2
    MTBE 544.61
    2-butoxyethanol 337.27
    propionic acid 492.98
    o-xylene 195.68
    formic acid 136.73
    diethyl ether 782.26
    m-xylene 224.91
    p-xylene 265.49
    chlorobenzene 442.98
    dimethyl carbonate 301.75
    n-octane 36.37
    formamide 300.27
    cyclopentanone 1157.7
    2-pentanone 741.26
    anisole 441.83
    cyclopentyl methyl ether 624.64
    gamma-butyrolactone 1315.41
    1-methoxy-2-propanol 628.42
    pyridine 833.94
    3-pentanone 608.11
    furfural 755.2
    n-dodecane 27.13
    diethylene glycol 424.85
    diisopropyl ether 173.23
    tert-amyl alcohol 401.44
    acetylacetone 608.35
    n-hexadecane 31.14
    acetophenone 314.54
    methyl propionate 748.67
    isopentyl acetate 354.44
    trichloroethylene 1678.92
    n-nonanol 178.78
    cyclohexanol 342.9
    benzyl alcohol 266.24
    2-ethylhexanol 226.54
    isooctanol 166.92
    dipropyl ether 317.38
    1,2-dichlorobenzene 367.9
    ethyl lactate 179.12
    propylene carbonate 554.54
    n-methylformamide 785.56
    2-pentanol 333.68
    n-pentane 69.75
    1-propoxy-2-propanol 427.74
    1-methoxy-2-propyl acetate 392.14
    2-(2-methoxypropoxy) propanol 238.3
    mesitylene 136.89
    ε-caprolactone 688.82
    p-cymene 107.37
    epichlorohydrin 1564.4
    1,1,1-trichloroethane 908.6
    2-aminoethanol 273.75
    morpholine-4-carbaldehyde 794.63
    sulfolane 930.24
    2,2,4-trimethylpentane 34.56
    2-methyltetrahydrofuran 928.85
    n-hexyl acetate 355.97
    isooctane 34.26
    2-(2-butoxyethoxy)ethanol 357.68
    sec-butyl acetate 255.36
    tert-butyl acetate 373.71
    decalin 58.33
    glycerin 195.61
    diglyme 704.78
    acrylic acid 356.09
    isopropyl myristate 137.56
    n-butyric acid 537.02
    acetyl acetate 356.04
    di(2-ethylhexyl) phthalate 97.86
    ethyl propionate 412.19
    nitromethane 1040.73
    1,2-diethoxyethane 403.39
    benzonitrile 351.45
    trioctyl phosphate 88.74
    1-bromopropane 661.2
    gamma-valerolactone 1211.59
    n-decanol 138.25
    triethyl phosphate 126.96
    4-methyl-2-pentanol 189.68
    propionitrile 792.18
    vinylene carbonate 507.97
    1,1,2-trichlorotrifluoroethane 525.07
    DMS 293.93
    cumene 147.89
    2-octanol 158.39
    2-hexanone 462.51
    octyl acetate 177.94
    limonene 146.01
    1,2-dimethoxyethane 835.39
    ethyl orthosilicate 121.11
    tributyl phosphate 100.17
    diacetone alcohol 411.04
    N,N-dimethylaniline 245.17
    acrylonitrile 936.49
    aniline 350.54
    1,3-propanediol 403.77
    bromobenzene 450.73
    dibromomethane 990.66
    1,1,2,2-tetrachloroethane 1156.27
    2-methyl-cyclohexyl acetate 193.7
    tetrabutyl urea 132.81
    diisobutyl methanol 137.08
    2-phenylethanol 313.85
    styrene 265.08
    dioctyl adipate 158.53
    dimethyl sulfate 375.67
    ethyl butyrate 301.8
    methyl lactate 263.44
    butyl lactate 167.68
    diethyl carbonate 203.62
    propanediol butyl ether 243.94
    triethyl orthoformate 173.92
    p-tert-butyltoluene 108.58
    methyl 4-tert-butylbenzoate 253.05
    morpholine 1459.66
    tert-butylamine 293.91
    n-dodecanol 108.58
    dimethoxymethane 796.76
    ethylene carbonate 431.75
    cyrene 226.14
    2-ethoxyethyl acetate 306.6
    2-ethylhexyl acetate 260.36
    1,2,4-trichlorobenzene 382.59
    4-methylpyridine 686.18
    dibutyl ether 247.05
    2,6-dimethyl-4-heptanol 137.08
    DEF 627.0
    dimethyl isosorbide 399.31
    tetrachloroethylene 674.81
    eugenol 255.65
    triacetin 233.82
    span 80 203.47
    1,4-butanediol 163.84
    1,1-dichloroethane 1177.99
    2-methyl-1-pentanol 237.19
    methyl formate 615.82
    2-methyl-1-butanol 318.6
    n-decane 46.15
    butyronitrile 622.83
    3,7-dimethyl-1-octanol 181.16
    1-chlorooctane 173.3
    1-chlorotetradecane 66.55
    n-nonane 48.86
    undecane 34.85
    tert-butylcyclohexane 62.38
    cyclooctane 36.94
    cyclopentanol 409.83
    tetrahydropyran 1184.94
    tert-amyl methyl ether 354.14
    2,5,8-trioxanonane 409.97
    1-hexene 325.81
    2-isopropoxyethanol 335.21
    2,2,2-trifluoroethanol 190.35
    methyl butyrate 504.52

    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