2-(p-Tolyl)propanal

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  • Identifiers

    CAS number
    99-72-9

    Molecular formula
    C10H12O

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

  • Odor profile

    Fragrance
    Green 88.39%
    Floral 86.8%
    Sweet 66.47%
    Fresh 66.14%
    Woody 51.21%
    Hyacinth 49.04%
    Aldehydic 47.59%
    Cortex 45.77%
    Herbal 45.47%
    Leafy 43.2%

     

    Flavor
    Green 78.59%
    Floral 70.21%
    Fresh 53.93%
    Hyacinth 40.6%
    Leaf 38.22%
    Spicy 36.56%
    Sweet 36.29%
    Lilac 31.57%
    Herbal 30.33%
    Cocoa 29.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.58 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 222.00 to 224.00 °C. @ 760.00 mm Hg

    Flash point

    • 93.24 ˚C est.

    Solubility expt.

    • Soluble in oils; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-(4-methylphenyl)propanal
    • 99-72-9
    • 2-(p-Tolyl)propanal
    • p-Methylhydratropaldehyde
    • 4-Methylhydratropaldehyde
    • 2-p-tolylpropionaldehyde
    • 2-(p-Tolyl)propionaldehyde
    • alpha,4-Dimethylbenzeneacetaldehyde
    • FEMA No. 3078
    • 2-(p-Methylphenyl)propionaldehyde
    • Hydratropaldehyde, p-methyl-
    • Benzeneacetaldehyde, alpha,4-dimethyl-
    • BENZENEACETALDEHYDE, .ALPHA.,4-DIMETHYL-
    • QCM2X1V31N
    • 2-(4-TOLYL)PROPANAL
    • FEMA3078
    • 2-(4'-Methylphenyl)-propanal
    • DTXSID6052665
    • Benzeneacetaldehyde, a,4-dimethyl-
    • 2-(P-TOLYL)PROPANAL, (+/-)-
    • 2-(P-TOLYL)-PROPIONALDEHYDE [FHFI]
    • Hydratropaldehyde p-methyl-
    • 2-p-Tolylpropanal
    • 2-(p-tolyl)-propionaldehyde
    • Methylhydratropic aldehyde, p-
    • 2-(p-Tolyl)propionic aldehyde
    • 2-(4-Methylphenyl)propionaldehyde
    • EINECS 202-782-0
    • Fema 3078
    • UNII-QCM2X1V31N
    • para-methyl hydratropaldehyde
    • Methyl-alpha-methylphenylacetaldehyde, p-
    • AI3-03939
    • Propionaldehyde, 2-(p-tolyl)-
    • p-Methylhydratropic aldehyde
    • 2-(p-Methylphenyl)propanal
    • a,4-Dimethylbenzeneacetaldehyde
    • p-Methylhydratropaldehyde, 8CI
    • SCHEMBL1532439
    • DTXCID3031238
    • CHEBI:195896
    • AAA09972
    • (+/-)2-(P-TOLYL)PROPANAL
    • a,4-Dimethylbenzeneacetaldehyde, 9CI
    • AKOS006229719
    • (+/-)-2-(P-TOLYL)PROPANAL
    • CS-0246321
    • NS00012907
    • EN300-322317
    • Q27287193
    • F8885-0697
    • Z1198150045

  • Applications

    2-(p-Tolyl)propanal (CAS 99-72-9) is principally used as an aroma-chemical intermediate and building block in fragrance chemistry. In perfumery, it contributes to specific odor profiles and serves as a precursor for the synthesis of more complex aroma compounds used in formulations. It may be employed as an ingredient or intermediate in cosmetics and personal-care products to establish or modify fragrance notes. In household cleaning formulations, it can be used to impart or adjust aroma characteristics in detergents and surface cleaners. It also finds use as a synthetic intermediate in the industrial manufacture of specialty chemicals and fragrance intermediates, including applications in coatings and inks where odorant functionalities are desired. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 744.22
    methanol 596.02
    isopropanol 488.56
    water 1.28
    ethyl acetate 1263.67
    n-propanol 647.03
    acetone 923.0
    n-butanol 518.88
    acetonitrile 1761.19
    DMF 979.38
    toluene 455.15
    isobutanol 389.97
    1,4-dioxane 1544.21
    methyl acetate 1270.67
    THF 857.49
    2-butanone 1106.85
    n-pentanol 365.62
    sec-butanol 456.9
    n-hexane 51.41
    ethylene glycol 113.64
    NMP 682.86
    cyclohexane 68.39
    DMSO 867.19
    n-butyl acetate 777.42
    n-octanol 124.08
    chloroform 2358.56
    n-propyl acetate 663.02
    acetic acid 549.42
    dichloromethane 2602.83
    cyclohexanone 999.91
    propylene glycol 166.38
    isopropyl acetate 430.87
    DMAc 670.12
    2-ethoxyethanol 507.67
    isopentanol 419.13
    n-heptane 32.05
    ethyl formate 777.73
    1,2-dichloroethane 1674.99
    n-hexanol 443.6
    2-methoxyethanol 750.89
    isobutyl acetate 300.0
    tetrachloromethane 342.97
    n-pentyl acetate 231.62
    transcutol 1841.05
    n-heptanol 144.29
    ethylbenzene 265.56
    MIBK 305.7
    2-propoxyethanol 605.33
    tert-butanol 560.54
    MTBE 507.07
    2-butoxyethanol 282.67
    propionic acid 663.03
    o-xylene 248.39
    formic acid 230.72
    diethyl ether 774.96
    m-xylene 249.59
    p-xylene 302.46
    chlorobenzene 706.31
    dimethyl carbonate 265.86
    n-octane 10.26
    formamide 561.28
    cyclopentanone 945.43
    2-pentanone 692.23
    anisole 583.81
    cyclopentyl methyl ether 460.73
    gamma-butyrolactone 1202.96
    1-methoxy-2-propanol 475.93
    pyridine 1420.44
    3-pentanone 584.09
    furfural 1138.2
    n-dodecane 6.75
    diethylene glycol 347.34
    diisopropyl ether 149.81
    tert-amyl alcohol 450.21
    acetylacetone 560.16
    n-hexadecane 8.13
    acetophenone 443.99
    methyl propionate 781.88
    isopentyl acetate 538.98
    trichloroethylene 2866.71
    n-nonanol 105.42
    cyclohexanol 371.45
    benzyl alcohol 379.79
    2-ethylhexanol 257.41
    isooctanol 115.92
    dipropyl ether 325.28
    1,2-dichlorobenzene 557.06
    ethyl lactate 198.73
    propylene carbonate 696.89
    n-methylformamide 850.18
    2-pentanol 327.18
    n-pentane 38.63
    1-propoxy-2-propanol 441.66
    1-methoxy-2-propyl acetate 521.37
    2-(2-methoxypropoxy) propanol 286.08
    mesitylene 136.51
    ε-caprolactone 884.19
    p-cymene 120.23
    epichlorohydrin 1572.76
    1,1,1-trichloroethane 1285.79
    2-aminoethanol 289.29
    morpholine-4-carbaldehyde 921.25
    sulfolane 931.75
    2,2,4-trimethylpentane 23.87
    2-methyltetrahydrofuran 888.85
    n-hexyl acetate 305.87
    isooctane 18.59
    2-(2-butoxyethoxy)ethanol 407.34
    sec-butyl acetate 357.9
    tert-butyl acetate 361.99
    decalin 42.04
    glycerin 193.53
    diglyme 859.46
    acrylic acid 496.87
    isopropyl myristate 101.14
    n-butyric acid 781.27
    acetyl acetate 460.12
    di(2-ethylhexyl) phthalate 108.06
    ethyl propionate 558.02
    nitromethane 1470.52
    1,2-diethoxyethane 624.02
    benzonitrile 637.95
    trioctyl phosphate 69.3
    1-bromopropane 738.88
    gamma-valerolactone 1221.29
    n-decanol 74.89
    triethyl phosphate 158.64
    4-methyl-2-pentanol 165.49
    propionitrile 1031.4
    vinylene carbonate 696.57
    1,1,2-trichlorotrifluoroethane 786.36
    DMS 310.92
    cumene 146.88
    2-octanol 86.98
    2-hexanone 609.05
    octyl acetate 126.9
    limonene 158.03
    1,2-dimethoxyethane 950.74
    ethyl orthosilicate 161.63
    tributyl phosphate 102.6
    diacetone alcohol 389.16
    N,N-dimethylaniline 290.22
    acrylonitrile 1234.52
    aniline 614.19
    1,3-propanediol 393.21
    bromobenzene 712.98
    dibromomethane 1532.41
    1,1,2,2-tetrachloroethane 1873.8
    2-methyl-cyclohexyl acetate 268.2
    tetrabutyl urea 124.27
    diisobutyl methanol 128.41
    2-phenylethanol 365.68
    styrene 368.11
    dioctyl adipate 166.34
    dimethyl sulfate 321.22
    ethyl butyrate 514.07
    methyl lactate 220.07
    butyl lactate 184.55
    diethyl carbonate 344.78
    propanediol butyl ether 226.47
    triethyl orthoformate 273.56
    p-tert-butyltoluene 108.83
    methyl 4-tert-butylbenzoate 236.13
    morpholine 1656.16
    tert-butylamine 355.35
    n-dodecanol 54.66
    dimethoxymethane 526.15
    ethylene carbonate 581.08
    cyrene 256.71
    2-ethoxyethyl acetate 382.66
    2-ethylhexyl acetate 408.95
    1,2,4-trichlorobenzene 621.84
    4-methylpyridine 1169.4
    dibutyl ether 209.54
    2,6-dimethyl-4-heptanol 128.41
    DEF 798.51
    dimethyl isosorbide 502.27
    tetrachloroethylene 1191.52
    eugenol 253.49
    triacetin 300.28
    span 80 207.07
    1,4-butanediol 154.05
    1,1-dichloroethane 1556.98
    2-methyl-1-pentanol 330.36
    methyl formate 591.15
    2-methyl-1-butanol 386.57
    n-decane 12.91
    butyronitrile 893.83
    3,7-dimethyl-1-octanol 149.64
    1-chlorooctane 92.7
    1-chlorotetradecane 28.57
    n-nonane 13.05
    undecane 9.03
    tert-butylcyclohexane 41.84
    cyclooctane 20.98
    cyclopentanol 345.58
    tetrahydropyran 1120.88
    tert-amyl methyl ether 326.05
    2,5,8-trioxanonane 523.21
    1-hexene 286.23
    2-isopropoxyethanol 349.87
    2,2,2-trifluoroethanol 226.44
    methyl butyrate 776.9

    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