3,5-Diisopropylbenzaldehyde

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  • Identifiers

    CAS number
    112538-48-4

    Molecular formula
    C13H18O

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

  • Odor profile

    Fragrance
    Herbal 71.79%
    Green 70.42%
    Spicy 61.35%
    Woody 53.2%
    Fresh 37.36%
    Leafy 37.31%
    Earthy 36.23%
    Phenolic 30.66%
    Mint 30.54%
    Cortex 27.88%

     

    Flavor
    Woody 50.33%
    Herbal 49.3%
    Spicy 38.87%
    Spice 33.18%
    Green 31.29%
    Bitter 27.68%
    Wood 24.42%
    Citrus 22.95%
    Herb 22.41%
    Cumin 21.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.64 (neutral)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 113.95 ˚C est.

  • Synonyms

    • 3,5-DIISOPROPYLBENZALDEHYDE
    • 112538-48-4
    • 3,5-Di(propan-2-yl)benzaldehyde
    • SCHEMBL4528373
    • DTXSID90613264
    • AKOS006277323
    • CS-0451312

  • Applications

    3,5-Diisopropylbenzaldehyde (CAS 112538-48-4) is primarily used as an intermediate in the synthesis of fragrance-related compounds and specialty chemicals; in the fragrance and cosmetics sectors, it serves as a building block for aroma compounds and can be incorporated to enhance perfumes and personal care products; in household and cleaning products it may function as a fragrance component; in coatings and inks it can act as a precursor or aroma additive for finishes and print formulations; in polymer/plastics production it can serve as a precursor to aryl derivatives used in specialty polymers; and in industrial manufacturing it is used as a chemical intermediate for the synthesis of various organic compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 292.82
    methanol 95.63
    isopropanol 308.72
    water 0.19
    ethyl acetate 618.92
    n-propanol 350.08
    acetone 1078.05
    n-butanol 314.1
    acetonitrile 537.14
    DMF 1451.68
    toluene 419.06
    isobutanol 283.84
    1,4-dioxane 779.25
    methyl acetate 769.12
    THF 1658.22
    2-butanone 1104.79
    n-pentanol 186.07
    sec-butanol 314.19
    n-hexane 54.95
    ethylene glycol 42.12
    NMP 1152.4
    cyclohexane 104.42
    DMSO 592.03
    n-butyl acetate 568.76
    n-octanol 131.29
    chloroform 2037.23
    n-propyl acetate 383.21
    acetic acid 233.5
    dichloromethane 2399.04
    cyclohexanone 1380.72
    propylene glycol 105.84
    isopropyl acetate 325.87
    DMAc 919.06
    2-ethoxyethanol 198.31
    isopentanol 243.44
    n-heptane 57.37
    ethyl formate 535.45
    1,2-dichloroethane 1335.39
    n-hexanol 307.78
    2-methoxyethanol 344.95
    isobutyl acetate 238.95
    tetrachloromethane 256.82
    n-pentyl acetate 260.66
    transcutol 337.59
    n-heptanol 138.23
    ethylbenzene 236.92
    MIBK 317.22
    2-propoxyethanol 358.12
    tert-butanol 339.42
    MTBE 373.64
    2-butoxyethanol 200.92
    propionic acid 362.22
    o-xylene 269.85
    formic acid 33.87
    diethyl ether 338.91
    m-xylene 268.29
    p-xylene 307.52
    chlorobenzene 619.72
    dimethyl carbonate 223.74
    n-octane 29.25
    formamide 108.24
    cyclopentanone 1983.08
    2-pentanone 714.13
    anisole 385.51
    cyclopentyl methyl ether 550.88
    gamma-butyrolactone 1774.34
    1-methoxy-2-propanol 347.22
    pyridine 1088.27
    3-pentanone 559.54
    furfural 1068.71
    n-dodecane 22.73
    diethylene glycol 161.62
    diisopropyl ether 102.55
    tert-amyl alcohol 295.73
    acetylacetone 655.27
    n-hexadecane 26.91
    acetophenone 404.79
    methyl propionate 599.39
    isopentyl acetate 441.02
    trichloroethylene 2554.67
    n-nonanol 117.21
    cyclohexanol 335.85
    benzyl alcohol 268.51
    2-ethylhexanol 206.68
    isooctanol 115.34
    dipropyl ether 258.08
    1,2-dichlorobenzene 507.92
    ethyl lactate 159.5
    propylene carbonate 875.36
    n-methylformamide 486.09
    2-pentanol 202.84
    n-pentane 51.77
    1-propoxy-2-propanol 298.93
    1-methoxy-2-propyl acetate 389.09
    2-(2-methoxypropoxy) propanol 178.04
    mesitylene 153.61
    ε-caprolactone 964.34
    p-cymene 171.5
    epichlorohydrin 1646.32
    1,1,1-trichloroethane 1163.99
    2-aminoethanol 105.34
    morpholine-4-carbaldehyde 799.29
    sulfolane 1393.14
    2,2,4-trimethylpentane 30.26
    2-methyltetrahydrofuran 1034.97
    n-hexyl acetate 335.82
    isooctane 23.09
    2-(2-butoxyethoxy)ethanol 209.47
    sec-butyl acetate 239.86
    tert-butyl acetate 299.56
    decalin 59.62
    glycerin 95.9
    diglyme 413.84
    acrylic acid 278.84
    isopropyl myristate 134.25
    n-butyric acid 457.01
    acetyl acetate 324.66
    di(2-ethylhexyl) phthalate 134.0
    ethyl propionate 343.87
    nitromethane 698.39
    1,2-diethoxyethane 273.68
    benzonitrile 496.79
    trioctyl phosphate 101.57
    1-bromopropane 759.54
    gamma-valerolactone 1470.6
    n-decanol 94.29
    triethyl phosphate 148.02
    4-methyl-2-pentanol 114.41
    propionitrile 504.91
    vinylene carbonate 712.63
    1,1,2-trichlorotrifluoroethane 560.47
    DMS 283.11
    cumene 156.35
    2-octanol 111.04
    2-hexanone 434.96
    octyl acetate 182.59
    limonene 235.21
    1,2-dimethoxyethane 523.69
    ethyl orthosilicate 128.64
    tributyl phosphate 110.9
    diacetone alcohol 336.88
    N,N-dimethylaniline 240.93
    acrylonitrile 645.66
    aniline 385.51
    1,3-propanediol 181.79
    bromobenzene 702.6
    dibromomethane 1455.4
    1,1,2,2-tetrachloroethane 1653.82
    2-methyl-cyclohexyl acetate 282.67
    tetrabutyl urea 158.44
    diisobutyl methanol 119.4
    2-phenylethanol 293.99
    styrene 282.32
    dioctyl adipate 212.42
    dimethyl sulfate 356.62
    ethyl butyrate 377.81
    methyl lactate 206.49
    butyl lactate 178.95
    diethyl carbonate 247.56
    propanediol butyl ether 158.0
    triethyl orthoformate 200.42
    p-tert-butyltoluene 164.82
    methyl 4-tert-butylbenzoate 288.58
    morpholine 879.91
    tert-butylamine 207.0
    n-dodecanol 76.82
    dimethoxymethane 479.18
    ethylene carbonate 582.04
    cyrene 282.75
    2-ethoxyethyl acetate 298.74
    2-ethylhexyl acetate 357.84
    1,2,4-trichlorobenzene 588.54
    4-methylpyridine 1037.25
    dibutyl ether 181.23
    2,6-dimethyl-4-heptanol 119.4
    DEF 680.77
    dimethyl isosorbide 442.92
    tetrachloroethylene 815.21
    eugenol 230.21
    triacetin 261.58
    span 80 191.29
    1,4-butanediol 79.62
    1,1-dichloroethane 1418.73
    2-methyl-1-pentanol 178.36
    methyl formate 429.72
    2-methyl-1-butanol 255.59
    n-decane 34.76
    butyronitrile 554.46
    3,7-dimethyl-1-octanol 131.94
    1-chlorooctane 148.21
    1-chlorotetradecane 65.35
    n-nonane 36.0
    undecane 27.25
    tert-butylcyclohexane 54.63
    cyclooctane 36.64
    cyclopentanol 464.71
    tetrahydropyran 890.51
    tert-amyl methyl ether 260.28
    2,5,8-trioxanonane 277.44
    1-hexene 206.97
    2-isopropoxyethanol 173.16
    2,2,2-trifluoroethanol 107.31
    methyl butyrate 523.38

    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