2-Methyl-3-(4-propylphenyl)propanal

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  • Identifiers

    CAS number
    902274-65-1

    Molecular formula
    C13H18O

    SMILES
    CCCC1=CC=C(C=C1)CC(C)C=O

  • Odor profile

    Fragrance
    Green 86.34%
    Floral 80.67%
    Fresh 67.32%
    Sweet 55.8%
    Aldehydic 55.49%
    Melon 50.41%
    Fruity 48.11%
    Lily 44.37%
    Muguet 43.74%
    Ozone 39.13%

     

    Flavor
    Green 80.91%
    Floral 59.69%
    Fresh 58.96%
    Sweet 44.25%
    Spicy 41.09%
    Leaf 39.22%
    Herbal 39.02%
    Hyacinth 35.0%
    Rose 33.37%
    Balsam 32.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.57 (neutral)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 127.01 ˚C est.

  • Synonyms

    • 2-methyl-3-(4-propylphenyl)propanal
    • 902274-65-1
    • NSC22272
    • SCHEMBL3642689
    • NSC-22272
    • AKOS013990125
    • EN300-365307
    • Z1238838024

  • Applications

    2-Methyl-3-(4-propylphenyl)propanal (CAS 902274-65-1) is primarily used as a fragrance ingredient and odorant in perfumery and cosmetic applications, contributing a warm, lasting aroma and serving as a synthetic intermediate for the production of related aroma compounds. In household products and personal care formulations, it may be employed as a fragrance component to enhance scent profiles. In the polymer/plastics and coatings/inks sectors, it can be used as a fragrance additive or as part of a fixation system to enable scent release in plastics, paints, and related materials. Overall, its role is typically that of an odorant and fragrance-chemistry intermediate, with use governed by formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3146.76
    methanol 3198.39
    isopropanol 2154.44
    water 0.21
    ethyl acetate 5239.02
    n-propanol 2319.35
    acetone 5348.47
    n-butanol 2104.79
    acetonitrile 3788.15
    DMF 3926.67
    toluene 953.08
    isobutanol 1467.36
    1,4-dioxane 3937.31
    methyl acetate 3430.95
    THF 3198.72
    2-butanone 3340.05
    n-pentanol 1207.81
    sec-butanol 1313.46
    n-hexane 285.42
    ethylene glycol 260.18
    NMP 1219.66
    cyclohexane 240.76
    DMSO 2231.71
    n-butyl acetate 2859.2
    n-octanol 299.72
    chloroform 4652.57
    n-propyl acetate 2203.18
    acetic acid 1204.4
    dichloromethane 5337.95
    cyclohexanone 2866.12
    propylene glycol 415.61
    isopropyl acetate 2746.12
    DMAc 1977.33
    2-ethoxyethanol 1869.52
    isopentanol 1743.89
    n-heptane 88.04
    ethyl formate 1801.04
    1,2-dichloroethane 4575.43
    n-hexanol 1464.79
    2-methoxyethanol 3014.14
    isobutyl acetate 1295.14
    tetrachloromethane 536.3
    n-pentyl acetate 775.54
    transcutol 5199.64
    n-heptanol 352.32
    ethylbenzene 511.55
    MIBK 1623.04
    2-propoxyethanol 2409.58
    tert-butanol 2526.11
    MTBE 3623.33
    2-butoxyethanol 789.56
    propionic acid 1249.27
    o-xylene 431.89
    formic acid 284.81
    diethyl ether 5264.93
    m-xylene 586.03
    p-xylene 535.93
    chlorobenzene 1305.02
    dimethyl carbonate 778.99
    n-octane 42.66
    formamide 634.25
    cyclopentanone 2542.32
    2-pentanone 3323.21
    anisole 1205.26
    cyclopentyl methyl ether 1875.02
    gamma-butyrolactone 2491.49
    1-methoxy-2-propanol 2222.65
    pyridine 2226.89
    3-pentanone 2008.59
    furfural 1758.76
    n-dodecane 31.02
    diethylene glycol 1219.24
    diisopropyl ether 967.4
    tert-amyl alcohol 1404.21
    acetylacetone 2697.68
    n-hexadecane 37.22
    acetophenone 846.28
    methyl propionate 2800.23
    isopentyl acetate 2188.78
    trichloroethylene 5914.47
    n-nonanol 264.93
    cyclohexanol 1048.14
    benzyl alcohol 750.43
    2-ethylhexanol 729.4
    isooctanol 311.6
    dipropyl ether 1332.38
    1,2-dichlorobenzene 1015.3
    ethyl lactate 488.79
    propylene carbonate 1440.77
    n-methylformamide 1717.11
    2-pentanol 1292.8
    n-pentane 186.95
    1-propoxy-2-propanol 1620.74
    1-methoxy-2-propyl acetate 2064.22
    2-(2-methoxypropoxy) propanol 614.44
    mesitylene 340.58
    ε-caprolactone 2139.32
    p-cymene 234.09
    epichlorohydrin 4148.04
    1,1,1-trichloroethane 3122.67
    2-aminoethanol 720.2
    morpholine-4-carbaldehyde 1948.6
    sulfolane 1823.93
    2,2,4-trimethylpentane 82.6
    2-methyltetrahydrofuran 2544.61
    n-hexyl acetate 929.89
    isooctane 93.52
    2-(2-butoxyethoxy)ethanol 1018.46
    sec-butyl acetate 1393.44
    tert-butyl acetate 2302.76
    decalin 140.51
    glycerin 443.42
    diglyme 2111.34
    acrylic acid 757.27
    isopropyl myristate 328.54
    n-butyric acid 2472.34
    acetyl acetate 1743.01
    di(2-ethylhexyl) phthalate 234.23
    ethyl propionate 1729.9
    nitromethane 3003.08
    1,2-diethoxyethane 2632.31
    benzonitrile 1019.74
    trioctyl phosphate 171.46
    1-bromopropane 2563.23
    gamma-valerolactone 3298.54
    n-decanol 205.12
    triethyl phosphate 346.95
    4-methyl-2-pentanol 687.51
    propionitrile 2426.92
    vinylene carbonate 1276.2
    1,1,2-trichlorotrifluoroethane 1554.12
    DMS 861.55
    cumene 312.0
    2-octanol 223.85
    2-hexanone 1857.23
    octyl acetate 378.17
    limonene 381.77
    1,2-dimethoxyethane 3295.84
    ethyl orthosilicate 382.91
    tributyl phosphate 270.77
    diacetone alcohol 1558.91
    N,N-dimethylaniline 560.44
    acrylonitrile 2343.75
    aniline 1030.14
    1,3-propanediol 1292.95
    bromobenzene 1440.92
    dibromomethane 3341.43
    1,1,2,2-tetrachloroethane 4222.72
    2-methyl-cyclohexyl acetate 668.92
    tetrabutyl urea 306.94
    diisobutyl methanol 383.74
    2-phenylethanol 760.59
    styrene 746.42
    dioctyl adipate 415.9
    dimethyl sulfate 769.54
    ethyl butyrate 1470.11
    methyl lactate 587.6
    butyl lactate 500.9
    diethyl carbonate 770.4
    propanediol butyl ether 542.37
    triethyl orthoformate 740.29
    p-tert-butyltoluene 235.74
    methyl 4-tert-butylbenzoate 464.54
    morpholine 4412.01
    tert-butylamine 1535.91
    n-dodecanol 154.28
    dimethoxymethane 3269.33
    ethylene carbonate 1260.62
    cyrene 463.5
    2-ethoxyethyl acetate 1219.83
    2-ethylhexyl acetate 1445.77
    1,2,4-trichlorobenzene 1026.45
    4-methylpyridine 2480.61
    dibutyl ether 843.99
    2,6-dimethyl-4-heptanol 383.74
    DEF 3064.08
    dimethyl isosorbide 1027.08
    tetrachloroethylene 2515.9
    eugenol 494.72
    triacetin 656.93
    span 80 466.13
    1,4-butanediol 460.15
    1,1-dichloroethane 4520.73
    2-methyl-1-pentanol 1043.55
    methyl formate 1261.49
    2-methyl-1-butanol 1318.9
    n-decane 54.57
    butyronitrile 2679.17
    3,7-dimethyl-1-octanol 403.43
    1-chlorooctane 293.58
    1-chlorotetradecane 105.32
    n-nonane 55.1
    undecane 40.16
    tert-butylcyclohexane 152.3
    cyclooctane 73.07
    cyclopentanol 793.83
    tetrahydropyran 3662.96
    tert-amyl methyl ether 1683.41
    2,5,8-trioxanonane 1104.66
    1-hexene 1370.46
    2-isopropoxyethanol 1322.73
    2,2,2-trifluoroethanol 341.93
    methyl butyrate 2291.04

    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