3-[4-(2-Methylpropyl)phenyl]propanal

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  • Identifiers

    CAS number
    40764-03-2

    Molecular formula
    C13H18O

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

  • Odor profile

    Green 84.06%
    Floral 83.12%
    Fresh 64.79%
    Aldehydic 58.89%
    Sweet 52.11%
    Lily 50.31%
    Muguet 48.22%
    Melon 43.0%
    Ozone 40.23%
    Hyacinth 37.44%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.62 (neutral)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    273°C

    Flash point est.
    130.12 ˚C

  • Synonyms

    • 40764-03-2
    • Benzenepropanal, 4-(2-methylpropyl)-
    • 3-[4-(2-Methylpropyl)phenyl]propanal
    • 3-(4-ISOBUTYL-PHENYL)-PROPIONALDEHYDE
    • 3-(4-Isobutylphenyl)propanal
    • Benzenepropanal,4-(2-methylpropyl)-
    • SCHEMBL1516646
    • DTXSID20575649
    • NSBVUMUHYMLXLM-UHFFFAOYSA-N
    • 3-(4-isobutylphenyl)-propionaldehyde
    • AKOS006290567
    • DB-365523
    • EN300-1826879

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1818.65
    methanol 1484.77
    isopropanol 1269.8
    water 0.12
    ethyl acetate 2283.74
    n-propanol 1278.5
    acetone 2886.22
    n-butanol 1155.05
    acetonitrile 1635.35
    DMF 1923.56
    toluene 476.78
    isobutanol 779.22
    1,4-dioxane 2113.83
    methyl acetate 1615.22
    THF 2459.55
    2-butanone 1735.38
    n-pentanol 702.46
    sec-butanol 684.24
    n-hexane 235.04
    ethylene glycol 170.57
    NMP 713.57
    cyclohexane 169.29
    DMSO 1389.04
    n-butyl acetate 1267.77
    n-octanol 190.86
    chloroform 2428.95
    n-propyl acetate 960.14
    acetic acid 638.31
    dichloromethane 2468.37
    cyclohexanone 1528.49
    propylene glycol 307.36
    isopropyl acetate 1236.96
    DMAc 1118.43
    2-ethoxyethanol 990.73
    isopentanol 906.78
    n-heptane 72.65
    ethyl formate 753.79
    1,2-dichloroethane 2213.23
    n-hexanol 880.27
    2-methoxyethanol 1625.23
    isobutyl acetate 634.61
    tetrachloromethane 278.26
    n-pentyl acetate 387.11
    transcutol 3006.59
    n-heptanol 211.81
    ethylbenzene 276.59
    MIBK 881.37
    2-propoxyethanol 1483.41
    tert-butanol 1289.83
    MTBE 1723.43
    2-butoxyethanol 454.02
    propionic acid 639.96
    o-xylene 237.08
    formic acid 131.74
    diethyl ether 2534.44
    m-xylene 325.04
    p-xylene 290.59
    chlorobenzene 639.21
    dimethyl carbonate 388.76
    n-octane 30.97
    formamide 267.62
    cyclopentanone 1638.49
    2-pentanone 1785.0
    anisole 635.81
    cyclopentyl methyl ether 1191.01
    gamma-butyrolactone 1396.44
    1-methoxy-2-propanol 1259.28
    pyridine 1120.33
    3-pentanone 1069.21
    furfural 947.23
    n-dodecane 21.92
    diethylene glycol 791.19
    diisopropyl ether 521.38
    tert-amyl alcohol 667.93
    acetylacetone 1463.2
    n-hexadecane 25.97
    acetophenone 444.94
    methyl propionate 1349.22
    isopentyl acetate 1023.76
    trichloroethylene 2820.17
    n-nonanol 169.24
    cyclohexanol 605.33
    benzyl alcohol 416.5
    2-ethylhexanol 422.75
    isooctanol 186.51
    dipropyl ether 830.9
    1,2-dichlorobenzene 507.95
    ethyl lactate 295.83
    propylene carbonate 776.35
    n-methylformamide 749.01
    2-pentanol 686.36
    n-pentane 131.89
    1-propoxy-2-propanol 974.43
    1-methoxy-2-propyl acetate 1082.0
    2-(2-methoxypropoxy) propanol 412.06
    mesitylene 205.33
    ε-caprolactone 1098.93
    p-cymene 143.88
    epichlorohydrin 2201.46
    1,1,1-trichloroethane 1516.05
    2-aminoethanol 448.36
    morpholine-4-carbaldehyde 1146.23
    sulfolane 1168.87
    2,2,4-trimethylpentane 51.76
    2-methyltetrahydrofuran 1664.54
    n-hexyl acetate 526.97
    isooctane 60.74
    2-(2-butoxyethoxy)ethanol 657.25
    sec-butyl acetate 637.94
    tert-butyl acetate 1118.8
    decalin 87.45
    glycerin 304.89
    diglyme 1290.86
    acrylic acid 397.42
    isopropyl myristate 204.2
    n-butyric acid 1226.9
    acetyl acetate 801.71
    di(2-ethylhexyl) phthalate 158.24
    ethyl propionate 783.38
    nitromethane 1312.29
    1,2-diethoxyethane 1334.28
    benzonitrile 511.6
    trioctyl phosphate 114.94
    1-bromopropane 1304.04
    gamma-valerolactone 1843.83
    n-decanol 129.36
    triethyl phosphate 212.68
    4-methyl-2-pentanol 386.44
    propionitrile 1111.05
    vinylene carbonate 647.39
    1,1,2-trichlorotrifluoroethane 912.82
    DMS 469.65
    cumene 174.83
    2-octanol 131.12
    2-hexanone 992.7
    octyl acetate 228.61
    limonene 233.57
    1,2-dimethoxyethane 1766.99
    ethyl orthosilicate 226.98
    tributyl phosphate 175.02
    diacetone alcohol 907.69
    N,N-dimethylaniline 319.54
    acrylonitrile 1031.16
    aniline 540.93
    1,3-propanediol 714.7
    bromobenzene 685.18
    dibromomethane 1631.5
    1,1,2,2-tetrachloroethane 2153.69
    2-methyl-cyclohexyl acetate 395.11
    tetrabutyl urea 195.94
    diisobutyl methanol 234.03
    2-phenylethanol 436.91
    styrene 374.21
    dioctyl adipate 271.86
    dimethyl sulfate 412.66
    ethyl butyrate 685.4
    methyl lactate 360.69
    butyl lactate 281.65
    diethyl carbonate 388.16
    propanediol butyl ether 350.83
    triethyl orthoformate 400.42
    p-tert-butyltoluene 149.5
    methyl 4-tert-butylbenzoate 297.87
    morpholine 2334.15
    tert-butylamine 775.37
    n-dodecanol 99.78
    dimethoxymethane 1578.18
    ethylene carbonate 631.68
    cyrene 313.81
    2-ethoxyethyl acetate 627.79
    2-ethylhexyl acetate 697.01
    1,2,4-trichlorobenzene 555.61
    4-methylpyridine 1152.65
    dibutyl ether 487.98
    2,6-dimethyl-4-heptanol 234.03
    DEF 1358.36
    dimethyl isosorbide 665.55
    tetrachloroethylene 1216.69
    eugenol 305.02
    triacetin 409.68
    span 80 317.52
    1,4-butanediol 267.06
    1,1-dichloroethane 2142.16
    2-methyl-1-pentanol 537.61
    methyl formate 537.78
    2-methyl-1-butanol 666.04
    n-decane 39.25
    butyronitrile 1245.71
    3,7-dimethyl-1-octanol 244.15
    1-chlorooctane 188.8
    1-chlorotetradecane 69.78
    n-nonane 40.46
    undecane 28.33
    tert-butylcyclohexane 94.59
    cyclooctane 53.39
    cyclopentanol 540.73
    tetrahydropyran 2107.55
    tert-amyl methyl ether 837.63
    2,5,8-trioxanonane 735.12
    1-hexene 891.83
    2-isopropoxyethanol 718.05
    2,2,2-trifluoroethanol 166.53
    methyl butyrate 1025.12

    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