2-Methyl-3-(p-tolyl)propanal

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  • Identifiers

    CAS number
    41496-43-9

    Molecular formula
    C11H14O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 87.04%
    Green 81.61%
    Sweet 72.63%
    Fresh 66.07%
    Fruity 61.24%
    Aldehydic 51.82%
    Melon 47.99%
    Hyacinth 46.8%
    Powdery 45.55%
    Balsamic 45.11%

     

    Flavor
    Green 65.75%
    Floral 61.54%
    Sweet 52.08%
    Fresh 49.74%
    Spicy 44.95%
    Hyacinth 34.53%
    Herbal 34.48%
    Fruity 33.11%
    Leaf 31.53%
    Musty 30.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.19 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point

    • 106.1 ˚C est.

    Solubility expt.

    • Soluble in oils; Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 41496-43-9
    • 2-Methyl-3-(p-tolyl)propionaldehyde
    • 2-methyl-3-(4-methylphenyl)propanal
    • 2-Methyl-3-(p-tolyl)propanal
    • jasmorange
    • Benzenepropanal, .alpha.,4-dimethyl-
    • 2-Methyl-3-tolylpropionaldehyde
    • Benzenepropanal, alpha,4-dimethyl-
    • 5CDC30289S
    • EINECS 255-410-4
    • 2-Methyl-3-(p-methylphenyl)propanal
    • NSC 22267
    • NSC-22267
    • DTXSID00866047
    • FEMA NO. 2748, P-
    • P,.ALPHA.-DIMETHYLHYDROCINNAMALDEHYDE
    • 3-(4-METHYLPHENYL)-2-METHYLPROPANAL
    • (+/-)-2-METHYL-3-(P-TOLYL)PROPANAL
    • HYDROCINNAMALDEHYDE, P,.ALPHA.-DIMETHYL-
    • 2-METHYL-3-(P-TOLYL)PROPANAL, (+/-)-
    • Satinaldehyde
    • UNII-5CDC30289S
    • FEMA No. 2748
    • NSC22267
    • Benzenepropanal,4-dimethyl-
    • SCHEMBL227153
    • DTXCID60814387
    • SGVBCLGVIOFAFT-UHFFFAOYSA-N
    • AKOS006228147
    • P,ALPHA-DIMETHYLHYDROCINNAMALDEHYDE
    • NS00012865
    • (+/-)-2-Methyl-3-(4-methylphenyl)propanal
    • HYDROCINNAMALDEHYDE, P,ALPHA-DIMETHYL-
    • Q27261831
    • 255-410-4

  • Applications

    2-Methyl-3-(p-tolyl)propanal (CAS 41496-43-9) is primarily used as a building block in fragrance and flavor chemistry. In perfumery it serves as an aroma intermediate contributing to specific scent profiles, and in flavor applications it may be evaluated as a fragrance precursor. It is also used in cosmetics and personal care as a fragrance ingredient, and in household products such as air fresheners and cleaners as an odorant. In industrial manufacturing it functions as a reactive intermediate for the synthesis of more complex aromatic compounds and fragrance ingredients. Its use is typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 879.32
    methanol 895.97
    isopropanol 634.13
    water 1.25
    ethyl acetate 1600.63
    n-propanol 686.92
    acetone 1305.91
    n-butanol 656.63
    acetonitrile 1133.76
    DMF 1076.63
    toluene 373.95
    isobutanol 448.89
    1,4-dioxane 1579.5
    methyl acetate 1295.93
    THF 1122.7
    2-butanone 1114.13
    n-pentanol 452.35
    sec-butanol 449.28
    n-hexane 101.54
    ethylene glycol 163.58
    NMP 429.25
    cyclohexane 69.36
    DMSO 591.48
    n-butyl acetate 876.69
    n-octanol 158.75
    chloroform 1983.85
    n-propyl acetate 741.79
    acetic acid 618.5
    dichloromethane 1682.8
    cyclohexanone 925.91
    propylene glycol 223.02
    isopropyl acetate 850.1
    DMAc 765.49
    2-ethoxyethanol 746.32
    isopentanol 612.48
    n-heptane 39.34
    ethyl formate 645.29
    1,2-dichloroethane 1369.45
    n-hexanol 596.87
    2-methoxyethanol 1043.57
    isobutyl acetate 498.12
    tetrachloromethane 247.19
    n-pentyl acetate 274.7
    transcutol 2367.35
    n-heptanol 185.74
    ethylbenzene 241.8
    MIBK 564.04
    2-propoxyethanol 901.0
    tert-butanol 878.72
    MTBE 1081.71
    2-butoxyethanol 381.1
    propionic acid 566.99
    o-xylene 215.16
    formic acid 202.43
    diethyl ether 1296.18
    m-xylene 261.52
    p-xylene 272.39
    chlorobenzene 537.81
    dimethyl carbonate 338.64
    n-octane 18.35
    formamide 332.16
    cyclopentanone 858.94
    2-pentanone 934.33
    anisole 596.64
    cyclopentyl methyl ether 590.12
    gamma-butyrolactone 886.37
    1-methoxy-2-propanol 776.37
    pyridine 889.65
    3-pentanone 689.55
    furfural 865.71
    n-dodecane 14.6
    diethylene glycol 590.8
    diisopropyl ether 285.79
    tert-amyl alcohol 558.4
    acetylacetone 883.8
    n-hexadecane 16.71
    acetophenone 432.34
    methyl propionate 899.89
    isopentyl acetate 739.62
    trichloroethylene 2263.93
    n-nonanol 139.93
    cyclohexanol 367.85
    benzyl alcohol 375.82
    2-ethylhexanol 324.03
    isooctanol 162.61
    dipropyl ether 434.28
    1,2-dichlorobenzene 439.15
    ethyl lactate 249.26
    propylene carbonate 616.04
    n-methylformamide 597.91
    2-pentanol 443.91
    n-pentane 56.85
    1-propoxy-2-propanol 611.55
    1-methoxy-2-propyl acetate 756.2
    2-(2-methoxypropoxy) propanol 348.46
    mesitylene 161.48
    ε-caprolactone 770.52
    p-cymene 123.12
    epichlorohydrin 1519.46
    1,1,1-trichloroethane 1158.43
    2-aminoethanol 346.36
    morpholine-4-carbaldehyde 839.86
    sulfolane 672.28
    2,2,4-trimethylpentane 41.37
    2-methyltetrahydrofuran 854.55
    n-hexyl acetate 384.85
    isooctane 42.68
    2-(2-butoxyethoxy)ethanol 526.1
    sec-butyl acetate 534.07
    tert-butyl acetate 735.57
    decalin 58.74
    glycerin 292.59
    diglyme 990.8
    acrylic acid 422.58
    isopropyl myristate 154.55
    n-butyric acid 912.45
    acetyl acetate 679.92
    di(2-ethylhexyl) phthalate 131.98
    ethyl propionate 634.58
    nitromethane 1170.53
    1,2-diethoxyethane 866.36
    benzonitrile 455.63
    trioctyl phosphate 91.23
    1-bromopropane 735.54
    gamma-valerolactone 1218.83
    n-decanol 108.05
    triethyl phosphate 178.13
    4-methyl-2-pentanol 291.97
    propionitrile 782.34
    vinylene carbonate 593.24
    1,1,2-trichlorotrifluoroethane 728.66
    DMS 394.28
    cumene 167.91
    2-octanol 116.18
    2-hexanone 661.72
    octyl acetate 175.13
    limonene 169.9
    1,2-dimethoxyethane 1187.1
    ethyl orthosilicate 188.2
    tributyl phosphate 136.34
    diacetone alcohol 641.34
    N,N-dimethylaniline 315.13
    acrylonitrile 847.41
    aniline 437.94
    1,3-propanediol 523.56
    bromobenzene 550.68
    dibromomethane 1083.45
    1,1,2,2-tetrachloroethane 1608.82
    2-methyl-cyclohexyl acetate 319.76
    tetrabutyl urea 150.94
    diisobutyl methanol 185.09
    2-phenylethanol 391.06
    styrene 325.05
    dioctyl adipate 200.25
    dimethyl sulfate 337.58
    ethyl butyrate 521.08
    methyl lactate 286.52
    butyl lactate 222.34
    diethyl carbonate 319.34
    propanediol butyl ether 302.36
    triethyl orthoformate 301.16
    p-tert-butyltoluene 124.5
    methyl 4-tert-butylbenzoate 270.89
    morpholine 1457.78
    tert-butylamine 543.12
    n-dodecanol 84.01
    dimethoxymethane 831.71
    ethylene carbonate 518.25
    cyrene 288.27
    2-ethoxyethyl acetate 491.05
    2-ethylhexyl acetate 512.61
    1,2,4-trichlorobenzene 493.87
    4-methylpyridine 876.27
    dibutyl ether 282.4
    2,6-dimethyl-4-heptanol 185.09
    DEF 840.37
    dimethyl isosorbide 532.52
    tetrachloroethylene 999.65
    eugenol 302.43
    triacetin 348.54
    span 80 261.34
    1,4-butanediol 214.85
    1,1-dichloroethane 1439.24
    2-methyl-1-pentanol 444.9
    methyl formate 482.78
    2-methyl-1-butanol 473.37
    n-decane 24.62
    butyronitrile 792.99
    3,7-dimethyl-1-octanol 202.16
    1-chlorooctane 124.18
    1-chlorotetradecane 48.86
    n-nonane 23.65
    undecane 18.25
    tert-butylcyclohexane 69.81
    cyclooctane 26.94
    cyclopentanol 289.9
    tetrahydropyran 1098.29
    tert-amyl methyl ether 565.48
    2,5,8-trioxanonane 555.95
    1-hexene 446.56
    2-isopropoxyethanol 571.06
    2,2,2-trifluoroethanol 228.67
    methyl butyrate 809.14

    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