Benzaldehyde, 3,5-dimethyl-

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  • Identifiers

    CAS number
    5779-95-3

    Molecular formula
    C9H10O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 65.38%
    Fruity 53.07%
    Almond 47.88%
    Cherry 47.28%
    Spicy 43.58%
    Bitter 42.37%
    Floral 39.63%
    Phenolic 39.62%
    Green 39.32%
    Herbal 33.81%

     

    Flavor
    Sweet 53.42%
    Fruity 50.55%
    Cherry 47.54%
    Phenolic 42.87%
    Woody 41.74%
    Almond 35.38%
    Spice 27.99%
    Spicy 27.83%
    Tobacco 26.27%
    Powdery 25.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.79 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    226°C

    Flash point

    • 84.75 ˚C est.

  • Synonyms

    • 3,5-Dimethylbenzaldehyde
    • 5779-95-3
    • Benzaldehyde, 3,5-dimethyl-
    • m-Xylene-5-carboxaldehyde
    • MFCD00082777
    • DTXSID00206484
    • 3,5-Dimethyl benzaldehyde
    • 3,5-DiMethyl-Benzaldehyde
    • 3,5-dimehtylbenzaldehyde
    • Benzaldehyde, 3,5dimethyl
    • 3,5-Dimethylbenzaldehyde #
    • SCHEMBL280640
    • 3,5-Dimethylbenzaldehyde, 97%
    • 3 pound not5-dimethylbenzaldehyde
    • DTXCID00128975
    • CHEBI:231520
    • BBL101511
    • STL555307
    • AKOS005259237
    • AB03134
    • CS-W002343
    • FD64019
    • GS-3349
    • HY-W002343
    • PD166616
    • SY017857
    • DB-024141
    • D3498
    • EN300-55729
    • F8880-1625
    • Z838973254
    • 675-424-8

  • Applications

    Benzaldehyde, 3,5-dimethyl- (CAS number: 5779-95-3) is primarily used as an aroma intermediate and building block in fragrance chemistry, serving as a precursor for the synthesis of other aroma compounds. It is also employed in cosmetics and personal care as a fragrance ingredient, in household products and cleaners as a fragrance additive, and in coatings and inks to impart scent. In industrial manufacturing it functions as a specialty chemical intermediate for the production of aroma-related compounds, dyes, and related materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 648.45
    methanol 875.91
    isopropanol 330.8
    water 1.75
    ethyl acetate 728.96
    n-propanol 400.35
    acetone 796.71
    n-butanol 389.11
    acetonitrile 804.01
    DMF 849.11
    toluene 345.25
    isobutanol 248.55
    1,4-dioxane 1229.68
    methyl acetate 605.9
    THF 1539.89
    2-butanone 556.63
    n-pentanol 267.79
    sec-butanol 233.11
    n-hexane 130.37
    ethylene glycol 143.92
    NMP 560.24
    cyclohexane 123.74
    DMSO 522.18
    n-butyl acetate 480.98
    n-octanol 161.36
    chloroform 1064.56
    n-propyl acetate 314.93
    acetic acid 382.17
    dichloromethane 1112.06
    cyclohexanone 670.65
    propylene glycol 113.38
    isopropyl acetate 310.08
    DMAc 370.26
    2-ethoxyethanol 376.28
    isopentanol 292.05
    n-heptane 88.77
    ethyl formate 402.88
    1,2-dichloroethane 858.59
    n-hexanol 520.4
    2-methoxyethanol 666.09
    isobutyl acetate 183.29
    tetrachloromethane 194.91
    n-pentyl acetate 189.74
    transcutol 1022.69
    n-heptanol 164.31
    ethylbenzene 179.76
    MIBK 300.24
    2-propoxyethanol 737.31
    tert-butanol 373.77
    MTBE 431.05
    2-butoxyethanol 278.49
    propionic acid 311.64
    o-xylene 172.43
    formic acid 185.76
    diethyl ether 787.06
    m-xylene 233.05
    p-xylene 161.89
    chlorobenzene 367.85
    dimethyl carbonate 243.0
    n-octane 33.13
    formamide 257.58
    cyclopentanone 830.58
    2-pentanone 562.5
    anisole 335.75
    cyclopentyl methyl ether 631.76
    gamma-butyrolactone 906.79
    1-methoxy-2-propanol 465.57
    pyridine 600.32
    3-pentanone 399.47
    furfural 598.08
    n-dodecane 22.45
    diethylene glycol 474.79
    diisopropyl ether 184.98
    tert-amyl alcohol 235.8
    acetylacetone 477.52
    n-hexadecane 25.63
    acetophenone 236.17
    methyl propionate 512.22
    isopentyl acetate 336.1
    trichloroethylene 1156.87
    n-nonanol 134.94
    cyclohexanol 285.87
    benzyl alcohol 221.75
    2-ethylhexanol 239.84
    isooctanol 120.02
    dipropyl ether 364.67
    1,2-dichlorobenzene 285.74
    ethyl lactate 129.77
    propylene carbonate 409.53
    n-methylformamide 530.35
    2-pentanol 236.28
    n-pentane 101.69
    1-propoxy-2-propanol 429.55
    1-methoxy-2-propyl acetate 391.52
    2-(2-methoxypropoxy) propanol 218.43
    mesitylene 135.43
    ε-caprolactone 536.7
    p-cymene 106.28
    epichlorohydrin 1137.59
    1,1,1-trichloroethane 604.41
    2-aminoethanol 225.56
    morpholine-4-carbaldehyde 684.44
    sulfolane 637.7
    2,2,4-trimethylpentane 36.67
    2-methyltetrahydrofuran 856.4
    n-hexyl acetate 287.23
    isooctane 39.76
    2-(2-butoxyethoxy)ethanol 318.94
    sec-butyl acetate 193.2
    tert-butyl acetate 321.51
    decalin 57.92
    glycerin 152.49
    diglyme 587.71
    acrylic acid 264.25
    isopropyl myristate 115.51
    n-butyric acid 430.79
    acetyl acetate 319.72
    di(2-ethylhexyl) phthalate 93.51
    ethyl propionate 282.18
    nitromethane 809.02
    1,2-diethoxyethane 479.38
    benzonitrile 308.09
    trioctyl phosphate 76.62
    1-bromopropane 506.35
    gamma-valerolactone 893.38
    n-decanol 102.25
    triethyl phosphate 109.2
    4-methyl-2-pentanol 154.06
    propionitrile 515.47
    vinylene carbonate 387.21
    1,1,2-trichlorotrifluoroethane 381.37
    DMS 227.61
    cumene 106.08
    2-octanol 105.41
    2-hexanone 336.07
    octyl acetate 139.09
    limonene 160.24
    1,2-dimethoxyethane 658.65
    ethyl orthosilicate 115.71
    tributyl phosphate 90.97
    diacetone alcohol 337.38
    N,N-dimethylaniline 184.41
    acrylonitrile 546.67
    aniline 287.03
    1,3-propanediol 323.12
    bromobenzene 378.94
    dibromomethane 767.9
    1,1,2,2-tetrachloroethane 734.91
    2-methyl-cyclohexyl acetate 179.3
    tetrabutyl urea 112.34
    diisobutyl methanol 131.84
    2-phenylethanol 292.07
    styrene 220.32
    dioctyl adipate 130.88
    dimethyl sulfate 251.72
    ethyl butyrate 270.52
    methyl lactate 174.28
    butyl lactate 130.06
    diethyl carbonate 169.55
    propanediol butyl ether 189.79
    triethyl orthoformate 172.08
    p-tert-butyltoluene 107.45
    methyl 4-tert-butylbenzoate 180.31
    morpholine 1136.92
    tert-butylamine 266.38
    n-dodecanol 81.27
    dimethoxymethane 771.22
    ethylene carbonate 359.07
    cyrene 179.44
    2-ethoxyethyl acetate 278.52
    2-ethylhexyl acetate 261.46
    1,2,4-trichlorobenzene 298.35
    4-methylpyridine 569.57
    dibutyl ether 220.56
    2,6-dimethyl-4-heptanol 131.84
    DEF 512.19
    dimethyl isosorbide 360.81
    tetrachloroethylene 509.91
    eugenol 193.98
    triacetin 177.76
    span 80 169.29
    1,4-butanediol 135.6
    1,1-dichloroethane 731.98
    2-methyl-1-pentanol 208.53
    methyl formate 444.62
    2-methyl-1-butanol 244.36
    n-decane 38.49
    butyronitrile 558.83
    3,7-dimethyl-1-octanol 154.81
    1-chlorooctane 139.74
    1-chlorotetradecane 55.53
    n-nonane 41.87
    undecane 28.34
    tert-butylcyclohexane 56.91
    cyclooctane 54.29
    cyclopentanol 288.71
    tetrahydropyran 1013.57
    tert-amyl methyl ether 305.58
    2,5,8-trioxanonane 350.34
    1-hexene 299.45
    2-isopropoxyethanol 264.27
    2,2,2-trifluoroethanol 144.13
    methyl butyrate 338.37

    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

Botanical

Name CAS Botanical Proportion
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%