Benzaldehyde, 4-(2-methylpropyl)-

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  • Identifiers

    CAS number
    40150-98-9

    Molecular formula
    C11H14O

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 72.79%
    Herbal 66.98%
    Spicy 65.01%
    Woody 45.33%
    Sweet 40.79%
    Aldehydic 38.72%
    Fresh 36.9%
    Cortex 33.69%
    Leafy 31.13%
    Phenolic 31.07%

     

    Flavor
    Green 61.97%
    Herbal 50.45%
    Spicy 49.52%
    Sweet 48.94%
    Fresh 41.22%
    Bitter 39.19%
    Spice 36.65%
    Floral 36.25%
    Oily 32.49%
    Sharp 32.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.95 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 100.38 ˚C est.

  • Synonyms

    • 4-Isobutylbenzaldehyde
    • 40150-98-9
    • 4-(2-Methylpropyl)benzaldehyde
    • Benzaldehyde, 4-(2-methylpropyl)-
    • DTXSID6074960
    • RefChem:561355
    • DTXCID5039721
    • 464-400-0
    • 609-787-0
    • p-Isobutylbenzaldehyde
    • MFCD00075760
    • 4-IsobutYl-Benzaldehyde
    • p-isobutyl benzaldehyde
    • Isobutylbenzaldehyde; 95%
    • 4-i-butylbenzaldehyde
    • 4-isobutyl benzaldehyde
    • 4-iso-butyl benzaldehyde
    • 4-Isobutylbenzaldehyde #
    • SCHEMBL44697
    • 4015-98-9
    • 4-Isobutylbenzaldehyde - 80%
    • SCHEMBL2324471
    • 4-Isobutylbenzaldehyde, AldrichCPR
    • AKOS009159053
    • FI70629
    • AC-15536
    • BS-16709
    • SY011595
    • CS-0134075
    • I0436
    • NS00030730
    • EN300-63957
    • D84252
    • F329154
    • Z385369920
    • 40150-98-9

  • Applications

    Benzaldehyde, 4-(2-methylpropyl)- (CAS 40150-98-9) is an isobutyl-substituted benzaldehyde used primarily as a fragrance ingredient and a key intermediate for the synthesis of other aromatic compounds, and may be used as a feedstock for aroma compounds in flavor applications. In cosmetics/personal care it may be used as an intermediate or aroma additive; in household cleaning and laundry products as a fragrance component or processing intermediate; in industrial manufacturing it serves as a precursor for aromatic compounds used in polymers/plastics and in coatings/inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1501.1
    methanol 1470.02
    isopropanol 1116.02
    water 0.42
    ethyl acetate 2960.46
    n-propanol 1303.9
    acetone 4098.2
    n-butanol 1128.49
    acetonitrile 1997.0
    DMF 3337.24
    toluene 805.44
    isobutanol 990.42
    1,4-dioxane 2064.68
    methyl acetate 2385.08
    THF 3453.78
    2-butanone 2759.03
    n-pentanol 826.71
    sec-butanol 872.34
    n-hexane 267.19
    ethylene glycol 275.71
    NMP 1952.61
    cyclohexane 161.19
    DMSO 2714.41
    n-butyl acetate 1550.2
    n-octanol 285.13
    chloroform 3014.84
    n-propyl acetate 1303.65
    acetic acid 1078.25
    dichloromethane 3060.62
    cyclohexanone 2417.94
    propylene glycol 422.66
    isopropyl acetate 1529.7
    DMAc 1920.48
    2-ethoxyethanol 1190.31
    isopentanol 1054.14
    n-heptane 65.78
    ethyl formate 1066.24
    1,2-dichloroethane 3177.04
    n-hexanol 1079.97
    2-methoxyethanol 1954.25
    isobutyl acetate 802.2
    tetrachloromethane 406.46
    n-pentyl acetate 530.16
    transcutol 4218.52
    n-heptanol 314.51
    ethylbenzene 413.18
    MIBK 1315.87
    2-propoxyethanol 1812.61
    tert-butanol 1493.76
    MTBE 2180.28
    2-butoxyethanol 652.91
    propionic acid 1190.59
    o-xylene 397.39
    formic acid 317.23
    diethyl ether 2382.54
    m-xylene 566.21
    p-xylene 470.9
    chlorobenzene 1124.6
    dimethyl carbonate 823.83
    n-octane 31.09
    formamide 645.02
    cyclopentanone 3177.79
    2-pentanone 2520.62
    anisole 1000.4
    cyclopentyl methyl ether 2042.03
    gamma-butyrolactone 3096.11
    1-methoxy-2-propanol 1632.03
    pyridine 1640.46
    3-pentanone 1861.96
    furfural 1790.14
    n-dodecane 21.57
    diethylene glycol 1054.97
    diisopropyl ether 678.7
    tert-amyl alcohol 1026.79
    acetylacetone 2193.52
    n-hexadecane 26.41
    acetophenone 723.64
    methyl propionate 2232.23
    isopentyl acetate 1253.56
    trichloroethylene 4959.57
    n-nonanol 243.94
    cyclohexanol 791.53
    benzyl alcohol 629.4
    2-ethylhexanol 514.61
    isooctanol 273.04
    dipropyl ether 763.77
    1,2-dichlorobenzene 926.33
    ethyl lactate 426.62
    propylene carbonate 1479.99
    n-methylformamide 1663.15
    2-pentanol 836.69
    n-pentane 148.41
    1-propoxy-2-propanol 1227.57
    1-methoxy-2-propyl acetate 1569.98
    2-(2-methoxypropoxy) propanol 592.43
    mesitylene 341.8
    ε-caprolactone 1842.33
    p-cymene 184.88
    epichlorohydrin 4009.04
    1,1,1-trichloroethane 2543.18
    2-aminoethanol 586.88
    morpholine-4-carbaldehyde 1912.05
    sulfolane 3004.95
    2,2,4-trimethylpentane 83.29
    2-methyltetrahydrofuran 2696.77
    n-hexyl acetate 826.72
    isooctane 94.11
    2-(2-butoxyethoxy)ethanol 949.08
    sec-butyl acetate 860.93
    tert-butyl acetate 1651.36
    decalin 111.44
    glycerin 488.04
    diglyme 1745.33
    acrylic acid 905.41
    isopropyl myristate 267.12
    n-butyric acid 1713.76
    acetyl acetate 1195.84
    di(2-ethylhexyl) phthalate 217.22
    ethyl propionate 1191.63
    nitromethane 2612.77
    1,2-diethoxyethane 1483.01
    benzonitrile 859.44
    trioctyl phosphate 168.11
    1-bromopropane 1610.09
    gamma-valerolactone 3193.31
    n-decanol 181.15
    triethyl phosphate 273.09
    4-methyl-2-pentanol 543.01
    propionitrile 1508.71
    vinylene carbonate 1172.84
    1,1,2-trichlorotrifluoroethane 1696.66
    DMS 786.73
    cumene 270.67
    2-octanol 217.85
    2-hexanone 1379.49
    octyl acetate 336.14
    limonene 290.28
    1,2-dimethoxyethane 1986.84
    ethyl orthosilicate 287.31
    tributyl phosphate 263.32
    diacetone alcohol 1475.33
    N,N-dimethylaniline 536.63
    acrylonitrile 1759.79
    aniline 947.51
    1,3-propanediol 880.16
    bromobenzene 1263.4
    dibromomethane 2023.65
    1,1,2,2-tetrachloroethane 3530.47
    2-methyl-cyclohexyl acetate 513.58
    tetrabutyl urea 289.39
    diisobutyl methanol 297.94
    2-phenylethanol 662.91
    styrene 567.94
    dioctyl adipate 359.73
    dimethyl sulfate 992.63
    ethyl butyrate 820.47
    methyl lactate 672.87
    butyl lactate 441.77
    diethyl carbonate 469.26
    propanediol butyl ether 556.55
    triethyl orthoformate 467.87
    p-tert-butyltoluene 192.08
    methyl 4-tert-butylbenzoate 448.3
    morpholine 2619.99
    tert-butylamine 957.82
    n-dodecanol 132.93
    dimethoxymethane 2252.45
    ethylene carbonate 1081.06
    cyrene 511.83
    2-ethoxyethyl acetate 885.75
    2-ethylhexyl acetate 894.4
    1,2,4-trichlorobenzene 1007.49
    4-methylpyridine 1800.05
    dibutyl ether 559.46
    2,6-dimethyl-4-heptanol 297.94
    DEF 2146.38
    dimethyl isosorbide 1056.62
    tetrachloroethylene 1906.98
    eugenol 485.98
    triacetin 595.22
    span 80 468.94
    1,4-butanediol 364.07
    1,1-dichloroethane 3104.75
    2-methyl-1-pentanol 733.37
    methyl formate 1249.8
    2-methyl-1-butanol 926.1
    n-decane 40.95
    butyronitrile 1425.45
    3,7-dimethyl-1-octanol 364.47
    1-chlorooctane 250.64
    1-chlorotetradecane 84.14
    n-nonane 43.17
    undecane 29.11
    tert-butylcyclohexane 127.37
    cyclooctane 64.77
    cyclopentanol 873.76
    tetrahydropyran 2370.15
    tert-amyl methyl ether 1249.64
    2,5,8-trioxanonane 929.69
    1-hexene 954.39
    2-isopropoxyethanol 903.54
    2,2,2-trifluoroethanol 394.08
    methyl butyrate 1470.38

    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