2-[(4-Propan-2-ylphenyl)methyl]butanal

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  • Identifiers

    CAS number
    93570-31-1

    Molecular formula
    C14H20O

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

  • Odor profile

    Fragrance
    Green 79.68%
    Floral 65.1%
    Fresh 51.93%
    Fruity 46.59%
    Aldehydic 44.99%
    Lily 38.42%
    Herbal 34.18%
    Muguet 33.92%
    Woody 33.38%
    Leafy 33.19%

     

    Flavor
    Green 80.18%
    Fresh 57.51%
    Floral 54.33%
    Herbal 50.31%
    Spicy 38.58%
    Leaf 34.66%
    Oily 34.2%
    Waxy 33.91%
    Musty 30.98%
    Sweet 28.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.66 (neutral)

    Molecular weight
    204.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    273°C

    Flash point

    • 125.2 ˚C est.

  • Synonyms

    • 93570-31-1
    • 2-[(4-propan-2-ylphenyl)methyl]butanal
    • NSC22274
    • SCHEMBL10629735
    • DTXSID80281633
    • NSC-22274

  • Applications

    2-[(4-Propan-2-ylphenyl)methyl]butanal is commonly used as a fragrance ingredient and odorant, serving as a fixative in perfumery and as a building block for the synthesis of related aroma compounds. It may be employed in cosmetics and personal care formulations as a scent ingredient and in household products such as laundry detergents and air fresheners to impart fragrance. In industrial manufacturing, it functions as an intermediate for fragrance compound synthesis and other aroma-related specialty chemicals. In the realm of polymers or plastics, it may be explored as a precursor for scent-release formulations or fragrance-embedded materials, subject to formulation limits and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3683.59
    methanol 2269.46
    isopropanol 2626.94
    water 0.19
    ethyl acetate 4856.56
    n-propanol 2820.54
    acetone 3942.38
    n-butanol 2300.02
    acetonitrile 3430.56
    DMF 2612.47
    toluene 1053.85
    isobutanol 1655.43
    1,4-dioxane 4662.52
    methyl acetate 3197.36
    THF 3012.23
    2-butanone 3371.42
    n-pentanol 1252.25
    sec-butanol 1574.33
    n-hexane 291.72
    ethylene glycol 137.35
    NMP 959.88
    cyclohexane 310.14
    DMSO 1308.69
    n-butyl acetate 2829.88
    n-octanol 282.56
    chloroform 4444.08
    n-propyl acetate 2113.1
    acetic acid 917.91
    dichloromethane 5194.87
    cyclohexanone 2879.88
    propylene glycol 318.28
    isopropyl acetate 2302.44
    DMAc 1578.45
    2-ethoxyethanol 1620.99
    isopentanol 1570.59
    n-heptane 111.78
    ethyl formate 1630.12
    1,2-dichloroethane 4084.11
    n-hexanol 1602.59
    2-methoxyethanol 2695.53
    isobutyl acetate 1107.96
    tetrachloromethane 533.2
    n-pentyl acetate 716.99
    transcutol 4281.36
    n-heptanol 358.0
    ethylbenzene 521.55
    MIBK 1242.35
    2-propoxyethanol 2313.6
    tert-butanol 2573.12
    MTBE 3568.91
    2-butoxyethanol 718.93
    propionic acid 1103.59
    o-xylene 465.44
    formic acid 166.24
    diethyl ether 5105.4
    m-xylene 628.94
    p-xylene 574.52
    chlorobenzene 1226.62
    dimethyl carbonate 485.07
    n-octane 49.04
    formamide 480.27
    cyclopentanone 2313.21
    2-pentanone 3016.09
    anisole 1058.55
    cyclopentyl methyl ether 1602.76
    gamma-butyrolactone 2210.55
    1-methoxy-2-propanol 1944.05
    pyridine 2607.09
    3-pentanone 1890.96
    furfural 1507.37
    n-dodecane 31.63
    diethylene glycol 896.15
    diisopropyl ether 939.25
    tert-amyl alcohol 1389.29
    acetylacetone 1953.3
    n-hexadecane 37.49
    acetophenone 743.93
    methyl propionate 2389.07
    isopentyl acetate 2034.25
    trichloroethylene 5207.49
    n-nonanol 254.65
    cyclohexanol 1195.22
    benzyl alcohol 702.92
    2-ethylhexanol 742.61
    isooctanol 299.33
    dipropyl ether 1539.55
    1,2-dichlorobenzene 912.5
    ethyl lactate 390.57
    propylene carbonate 1247.34
    n-methylformamide 1408.37
    2-pentanol 1402.29
    n-pentane 204.09
    1-propoxy-2-propanol 1685.95
    1-methoxy-2-propyl acetate 1879.25
    2-(2-methoxypropoxy) propanol 550.3
    mesitylene 331.84
    ε-caprolactone 2166.05
    p-cymene 244.04
    epichlorohydrin 3579.82
    1,1,1-trichloroethane 2851.99
    2-aminoethanol 565.13
    morpholine-4-carbaldehyde 1671.43
    sulfolane 1356.78
    2,2,4-trimethylpentane 77.98
    2-methyltetrahydrofuran 2596.63
    n-hexyl acetate 811.73
    isooctane 81.34
    2-(2-butoxyethoxy)ethanol 923.42
    sec-butyl acetate 1304.37
    tert-butyl acetate 1830.42
    decalin 139.68
    glycerin 282.63
    diglyme 1972.55
    acrylic acid 562.37
    isopropyl myristate 296.43
    n-butyric acid 2287.42
    acetyl acetate 1369.83
    di(2-ethylhexyl) phthalate 205.47
    ethyl propionate 1603.49
    nitromethane 2201.36
    1,2-diethoxyethane 2531.24
    benzonitrile 954.32
    trioctyl phosphate 148.34
    1-bromopropane 2490.84
    gamma-valerolactone 3118.15
    n-decanol 194.9
    triethyl phosphate 318.21
    4-methyl-2-pentanol 636.93
    propionitrile 2498.29
    vinylene carbonate 1100.12
    1,1,2-trichlorotrifluoroethane 1164.89
    DMS 700.25
    cumene 305.6
    2-octanol 225.88
    2-hexanone 1683.65
    octyl acetate 340.81
    limonene 403.89
    1,2-dimethoxyethane 3088.44
    ethyl orthosilicate 351.12
    tributyl phosphate 222.55
    diacetone alcohol 1224.94
    N,N-dimethylaniline 512.35
    acrylonitrile 2144.96
    aniline 1086.67
    1,3-propanediol 1104.3
    bromobenzene 1319.88
    dibromomethane 3391.19
    1,1,2,2-tetrachloroethane 3645.68
    2-methyl-cyclohexyl acetate 652.24
    tetrabutyl urea 260.97
    diisobutyl methanol 371.47
    2-phenylethanol 719.01
    styrene 719.76
    dioctyl adipate 377.53
    dimethyl sulfate 474.18
    ethyl butyrate 1595.8
    methyl lactate 442.44
    butyl lactate 429.48
    diethyl carbonate 777.24
    propanediol butyl ether 460.07
    triethyl orthoformate 767.65
    p-tert-butyltoluene 236.8
    methyl 4-tert-butylbenzoate 415.73
    morpholine 5532.96
    tert-butylamine 1682.98
    n-dodecanol 148.67
    dimethoxymethane 2260.57
    ethylene carbonate 1078.14
    cyrene 403.13
    2-ethoxyethyl acetate 1143.38
    2-ethylhexyl acetate 1378.06
    1,2,4-trichlorobenzene 911.21
    4-methylpyridine 2638.35
    dibutyl ether 850.37
    2,6-dimethyl-4-heptanol 371.47
    DEF 2726.58
    dimethyl isosorbide 909.21
    tetrachloroethylene 2067.29
    eugenol 426.76
    triacetin 555.85
    span 80 406.74
    1,4-butanediol 350.61
    1,1-dichloroethane 4400.78
    2-methyl-1-pentanol 929.35
    methyl formate 845.29
    2-methyl-1-butanol 1292.8
    n-decane 58.71
    butyronitrile 2631.24
    3,7-dimethyl-1-octanol 365.31
    1-chlorooctane 288.8
    1-chlorotetradecane 103.98
    n-nonane 59.63
    undecane 41.93
    tert-butylcyclohexane 139.14
    cyclooctane 82.41
    cyclopentanol 886.15
    tetrahydropyran 4568.95
    tert-amyl methyl ether 1534.1
    2,5,8-trioxanonane 1018.13
    1-hexene 1345.49
    2-isopropoxyethanol 1120.83
    2,2,2-trifluoroethanol 228.61
    methyl butyrate 2210.09

    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