beta,4-Dimethylbenzenepropanal

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  • Identifiers

    CAS number
    16251-78-8

    Molecular formula
    C11H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Green 93.39%
    Floral 75.05%
    Fresh 58.3%
    Aldehydic 50.79%
    Leafy 47.38%
    Cortex 45.9%
    Herbal 43.46%
    Woody 43.38%
    Lily 41.21%
    Muguet 40.54%

     

    Flavor
    Green 81.55%
    Fresh 59.6%
    Floral 53.71%
    Herbal 52.58%
    Spicy 44.4%
    Sweet 40.01%
    Leaf 37.57%
    Oily 32.91%
    Citrus 31.41%
    Musty 30.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.86 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 105.93 ˚C est.

  • Synonyms

    • 16251-78-8
    • beta,4-Dimethylbenzenepropanal
    • RefChem:328880
    • 3-(4-methylphenyl)butanal
    • I(2),4-Dimethylbenzenepropanal
    • SCHEMBL11295091
    • DTXSID701310794
    • 16251-78-8

  • Applications

    beta,4-Dimethylbenzenepropanal (CAS 16251-78-8) is used as an aroma intermediate in fragrance and flavor chemistry, serving as an odorant and a synthetic building block for aromatic fragrance molecules. In cosmetics and personal care, it is employed as a fragrance ingredient shaping scent profiles. In household products, it can be formulated to impart characteristic fragrances. In industrial manufacturing, it serves as a chemical intermediate for the synthesis of fragrance compounds and other related specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1387.31
    methanol 875.99
    isopropanol 962.27
    water 0.73
    ethyl acetate 1654.0
    n-propanol 1089.43
    acetone 1315.98
    n-butanol 870.02
    acetonitrile 2027.77
    DMF 1079.75
    toluene 506.15
    isobutanol 615.89
    1,4-dioxane 2452.48
    methyl acetate 1328.08
    THF 1474.88
    2-butanone 1185.6
    n-pentanol 477.3
    sec-butanol 597.93
    n-hexane 54.38
    ethylene glycol 131.3
    NMP 499.1
    cyclohexane 102.54
    DMSO 783.39
    n-butyl acetate 861.77
    n-octanol 139.65
    chloroform 2505.38
    n-propyl acetate 627.62
    acetic acid 590.74
    dichloromethane 2613.38
    cyclohexanone 1243.02
    propylene glycol 242.99
    isopropyl acetate 578.51
    DMAc 566.24
    2-ethoxyethanol 605.94
    isopentanol 541.7
    n-heptane 48.06
    ethyl formate 808.98
    1,2-dichloroethane 1632.75
    n-hexanol 693.4
    2-methoxyethanol 1098.98
    isobutyl acetate 319.91
    tetrachloromethane 243.53
    n-pentyl acetate 221.99
    transcutol 1872.91
    n-heptanol 161.58
    ethylbenzene 218.56
    MIBK 373.2
    2-propoxyethanol 919.06
    tert-butanol 835.03
    MTBE 698.37
    2-butoxyethanol 317.44
    propionic acid 656.13
    o-xylene 210.37
    formic acid 158.78
    diethyl ether 1248.24
    m-xylene 280.96
    p-xylene 239.4
    chlorobenzene 614.82
    dimethyl carbonate 243.54
    n-octane 16.09
    formamide 377.02
    cyclopentanone 1090.78
    2-pentanone 908.28
    anisole 480.26
    cyclopentyl methyl ether 669.76
    gamma-butyrolactone 1182.56
    1-methoxy-2-propanol 702.24
    pyridine 1415.73
    3-pentanone 617.46
    furfural 867.6
    n-dodecane 12.8
    diethylene glycol 466.74
    diisopropyl ether 199.57
    tert-amyl alcohol 448.99
    acetylacetone 656.72
    n-hexadecane 14.84
    acetophenone 327.96
    methyl propionate 905.34
    isopentyl acetate 597.73
    trichloroethylene 2454.84
    n-nonanol 119.93
    cyclohexanol 553.07
    benzyl alcohol 349.78
    2-ethylhexanol 307.13
    isooctanol 124.16
    dipropyl ether 487.96
    1,2-dichlorobenzene 414.44
    ethyl lactate 172.48
    propylene carbonate 631.01
    n-methylformamide 770.8
    2-pentanol 467.36
    n-pentane 49.21
    1-propoxy-2-propanol 573.23
    1-methoxy-2-propyl acetate 613.03
    2-(2-methoxypropoxy) propanol 271.31
    mesitylene 137.7
    ε-caprolactone 938.8
    p-cymene 115.31
    epichlorohydrin 1666.68
    1,1,1-trichloroethane 1183.54
    2-aminoethanol 374.89
    morpholine-4-carbaldehyde 861.79
    sulfolane 765.5
    2,2,4-trimethylpentane 24.21
    2-methyltetrahydrofuran 1259.62
    n-hexyl acetate 302.94
    isooctane 23.29
    2-(2-butoxyethoxy)ethanol 409.83
    sec-butyl acetate 338.05
    tert-butyl acetate 454.82
    decalin 45.41
    glycerin 218.12
    diglyme 858.32
    acrylic acid 408.95
    isopropyl myristate 117.67
    n-butyric acid 958.18
    acetyl acetate 520.42
    di(2-ethylhexyl) phthalate 106.69
    ethyl propionate 520.56
    nitromethane 1285.12
    1,2-diethoxyethane 778.83
    benzonitrile 518.15
    trioctyl phosphate 72.38
    1-bromopropane 879.79
    gamma-valerolactone 1388.98
    n-decanol 91.39
    triethyl phosphate 140.06
    4-methyl-2-pentanol 197.12
    propionitrile 1154.59
    vinylene carbonate 592.38
    1,1,2-trichlorotrifluoroethane 609.33
    DMS 283.39
    cumene 127.44
    2-octanol 94.21
    2-hexanone 567.76
    octyl acetate 143.94
    limonene 177.64
    1,2-dimethoxyethane 1118.93
    ethyl orthosilicate 142.71
    tributyl phosphate 101.13
    diacetone alcohol 407.27
    N,N-dimethylaniline 227.58
    acrylonitrile 1166.0
    aniline 596.48
    1,3-propanediol 592.29
    bromobenzene 605.73
    dibromomethane 1599.6
    1,1,2,2-tetrachloroethane 1615.62
    2-methyl-cyclohexyl acetate 258.59
    tetrabutyl urea 122.76
    diisobutyl methanol 147.86
    2-phenylethanol 361.14
    styrene 304.77
    dioctyl adipate 169.61
    dimethyl sulfate 246.8
    ethyl butyrate 534.63
    methyl lactate 213.29
    butyl lactate 168.29
    diethyl carbonate 308.42
    propanediol butyl ether 221.59
    triethyl orthoformate 269.68
    p-tert-butyltoluene 107.83
    methyl 4-tert-butylbenzoate 215.82
    morpholine 2598.4
    tert-butylamine 487.52
    n-dodecanol 70.92
    dimethoxymethane 819.02
    ethylene carbonate 568.91
    cyrene 216.89
    2-ethoxyethyl acetate 398.09
    2-ethylhexyl acetate 430.71
    1,2,4-trichlorobenzene 441.03
    4-methylpyridine 1152.53
    dibutyl ether 264.25
    2,6-dimethyl-4-heptanol 147.86
    DEF 807.13
    dimethyl isosorbide 474.73
    tetrachloroethylene 928.86
    eugenol 217.41
    triacetin 266.93
    span 80 207.46
    1,4-butanediol 176.49
    1,1-dichloroethane 1673.59
    2-methyl-1-pentanol 324.5
    methyl formate 518.92
    2-methyl-1-butanol 459.09
    n-decane 22.56
    butyronitrile 1074.82
    3,7-dimethyl-1-octanol 151.23
    1-chlorooctane 111.8
    1-chlorotetradecane 41.79
    n-nonane 22.51
    undecane 16.48
    tert-butylcyclohexane 44.77
    cyclooctane 28.17
    cyclopentanol 483.22
    tetrahydropyran 1908.66
    tert-amyl methyl ether 358.93
    2,5,8-trioxanonane 505.82
    1-hexene 358.81
    2-isopropoxyethanol 380.65
    2,2,2-trifluoroethanol 163.54
    methyl butyrate 727.97

    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