3-(p-Methylphenyl)propanal

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  • Identifiers

    CAS number
    5406-12-2

    Molecular formula
    C10H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 84.0%
    Green 69.36%
    Sweet 60.7%
    Fresh 53.35%
    Hyacinth 51.37%
    Fruity 49.09%
    Aldehydic 47.12%
    Balsamic 44.6%
    Powdery 42.84%
    Melon 42.27%

     

    Flavor
    Green 68.84%
    Sweet 49.98%
    Fresh 49.88%
    Spicy 47.26%
    Floral 45.02%
    Balsam 43.72%
    Hyacinth 43.14%
    Bitter 40.47%
    Cinnamon 37.66%
    Fruity 35.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.72 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point

    • 102.09 ˚C est.

  • Synonyms

    • Benzenepropanal, 4-methyl-
    • 5406-12-2
    • 3-(4-METHYLPHENYL)PROPIONALDEHYDE
    • 3-(4-methylphenyl)propanal
    • p-Methylhydrocinnamic aldehyde
    • Hydrocinnamaldehyde, p-methyl-
    • 3-p-Tolylpropionaldehyde
    • Benzenepropanal,4-methyl-
    • 3-(p-Methylphenyl)propanal
    • 3-(p-tolyl)propanal
    • 4-Methylbenzenepropanal
    • 1RMD883W6C
    • 3-(P-TOLYL)PROPIONALDEHYDE
    • NSC 5304
    • NSC-5304
    • EINECS 226-460-4
    • 3-P-TOLYLPROPANAL
    • DTXSID2063844
    • 3-p-tolyl-propionaldehyde
    • MFCD04112993
    • NSC5304
    • 3-p-tolylpropan-1-al
    • para-cresyl propionaldehyde
    • UNII-1RMD883W6C
    • SCHEMBL364888
    • DTXCID3041582
    • 3-(4-Methyl-phenyl)-propionaldehyde
    • Hydrocinnamaldehyde, p-methyl-(8CI)
    • AKOS010078001
    • AB17667
    • DB-356464
    • NS00012138
    • EN300-266204
    • Q27252798

  • Applications

    3-(p-Methylphenyl)propanal (CAS 5406-12-2) is used primarily as an aroma compound and fragrance intermediate in the flavor and fragrance industry. In perfumery, it contributes to woody-floral notes and serves as a precursor for more complex fragrance ingredients; in flavor formulations, it may function as an aroma ingredient or aroma modifier within formulated products. It is also used in cosmetics and personal care and in household products as a scent ingredient to impart a pleasant fragrance. In industrial manufacturing, it is employed as a building block for the synthesis of specialty aroma chemicals and related intermediates used in further chemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 819.64
    methanol 465.14
    isopropanol 551.06
    water 0.62
    ethyl acetate 1495.2
    n-propanol 625.57
    acetone 1052.6
    n-butanol 492.17
    acetonitrile 1241.69
    DMF 741.68
    toluene 326.81
    isobutanol 361.55
    1,4-dioxane 1494.74
    methyl acetate 1246.5
    THF 880.17
    2-butanone 1030.9
    n-pentanol 320.21
    sec-butanol 416.27
    n-hexane 47.56
    ethylene glycol 138.78
    NMP 334.83
    cyclohexane 45.89
    DMSO 707.08
    n-butyl acetate 626.14
    n-octanol 117.44
    chloroform 1773.24
    n-propyl acetate 551.47
    acetic acid 440.24
    dichloromethane 1903.1
    cyclohexanone 796.06
    propylene glycol 221.24
    isopropyl acetate 530.34
    DMAc 539.27
    2-ethoxyethanol 491.55
    isopentanol 361.22
    n-heptane 39.89
    ethyl formate 575.47
    1,2-dichloroethane 1340.22
    n-hexanol 421.49
    2-methoxyethanol 736.21
    isobutyl acetate 310.41
    tetrachloromethane 187.49
    n-pentyl acetate 197.61
    transcutol 1884.23
    n-heptanol 126.0
    ethylbenzene 182.1
    MIBK 338.88
    2-propoxyethanol 623.95
    tert-butanol 578.14
    MTBE 559.27
    2-butoxyethanol 254.89
    propionic acid 580.92
    o-xylene 173.76
    formic acid 120.78
    diethyl ether 846.09
    m-xylene 198.22
    p-xylene 194.29
    chlorobenzene 428.68
    dimethyl carbonate 252.28
    n-octane 16.27
    formamide 260.25
    cyclopentanone 772.33
    2-pentanone 730.06
    anisole 441.3
    cyclopentyl methyl ether 436.69
    gamma-butyrolactone 916.0
    1-methoxy-2-propanol 569.02
    pyridine 910.27
    3-pentanone 561.94
    furfural 710.68
    n-dodecane 13.8
    diethylene glycol 382.83
    diisopropyl ether 163.91
    tert-amyl alcohol 382.7
    acetylacetone 651.65
    n-hexadecane 15.66
    acetophenone 313.79
    methyl propionate 841.52
    isopentyl acetate 470.87
    trichloroethylene 1997.03
    n-nonanol 102.99
    cyclohexanol 290.52
    benzyl alcohol 275.01
    2-ethylhexanol 225.82
    isooctanol 106.53
    dipropyl ether 381.52
    1,2-dichlorobenzene 329.61
    ethyl lactate 176.22
    propylene carbonate 500.39
    n-methylformamide 494.64
    2-pentanol 315.18
    n-pentane 31.98
    1-propoxy-2-propanol 429.59
    1-methoxy-2-propyl acetate 516.44
    2-(2-methoxypropoxy) propanol 268.7
    mesitylene 109.61
    ε-caprolactone 668.77
    p-cymene 96.42
    epichlorohydrin 1304.39
    1,1,1-trichloroethane 962.87
    2-aminoethanol 308.17
    morpholine-4-carbaldehyde 672.44
    sulfolane 644.47
    2,2,4-trimethylpentane 22.06
    2-methyltetrahydrofuran 767.93
    n-hexyl acetate 266.25
    isooctane 21.71
    2-(2-butoxyethoxy)ethanol 383.93
    sec-butyl acetate 335.52
    tert-butyl acetate 432.22
    decalin 40.05
    glycerin 222.47
    diglyme 747.87
    acrylic acid 385.62
    isopropyl myristate 114.99
    n-butyric acid 722.48
    acetyl acetate 504.93
    di(2-ethylhexyl) phthalate 97.32
    ethyl propionate 501.63
    nitromethane 1014.68
    1,2-diethoxyethane 682.73
    benzonitrile 373.31
    trioctyl phosphate 68.3
    1-bromopropane 660.22
    gamma-valerolactone 991.61
    n-decanol 81.94
    triethyl phosphate 136.58
    4-methyl-2-pentanol 163.27
    propionitrile 819.99
    vinylene carbonate 476.65
    1,1,2-trichlorotrifluoroethane 542.03
    DMS 301.58
    cumene 117.08
    2-octanol 76.54
    2-hexanone 447.09
    octyl acetate 133.17
    limonene 139.37
    1,2-dimethoxyethane 785.45
    ethyl orthosilicate 136.39
    tributyl phosphate 96.92
    diacetone alcohol 397.44
    N,N-dimethylaniline 219.45
    acrylonitrile 897.11
    aniline 365.23
    1,3-propanediol 383.41
    bromobenzene 451.47
    dibromomethane 1139.94
    1,1,2,2-tetrachloroethane 1297.4
    2-methyl-cyclohexyl acetate 227.96
    tetrabutyl urea 120.03
    diisobutyl methanol 131.8
    2-phenylethanol 273.23
    styrene 251.44
    dioctyl adipate 166.0
    dimethyl sulfate 290.45
    ethyl butyrate 436.51
    methyl lactate 214.29
    butyl lactate 154.32
    diethyl carbonate 270.19
    propanediol butyl ether 207.08
    triethyl orthoformate 231.81
    p-tert-butyltoluene 93.07
    methyl 4-tert-butylbenzoate 212.97
    morpholine 1413.58
    tert-butylamine 338.58
    n-dodecanol 65.77
    dimethoxymethane 596.37
    ethylene carbonate 412.8
    cyrene 202.18
    2-ethoxyethyl acetate 355.45
    2-ethylhexyl acetate 342.03
    1,2,4-trichlorobenzene 374.09
    4-methylpyridine 723.61
    dibutyl ether 227.48
    2,6-dimethyl-4-heptanol 131.8
    DEF 650.54
    dimethyl isosorbide 412.03
    tetrachloroethylene 786.29
    eugenol 219.03
    triacetin 284.44
    span 80 200.12
    1,4-butanediol 146.47
    1,1-dichloroethane 1307.26
    2-methyl-1-pentanol 248.08
    methyl formate 385.49
    2-methyl-1-butanol 311.88
    n-decane 22.01
    butyronitrile 661.28
    3,7-dimethyl-1-octanol 139.59
    1-chlorooctane 98.27
    1-chlorotetradecane 42.1
    n-nonane 21.94
    undecane 16.91
    tert-butylcyclohexane 43.44
    cyclooctane 18.95
    cyclopentanol 274.58
    tetrahydropyran 1011.27
    tert-amyl methyl ether 313.02
    2,5,8-trioxanonane 472.43
    1-hexene 285.28
    2-isopropoxyethanol 358.42
    2,2,2-trifluoroethanol 149.37
    methyl butyrate 613.38

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
p-Methylhydrocinnamic aldehyde should not be used as a fragrance ingredient.