1,2-Diisopropylbenzene

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  • Identifiers

    CAS number
    25321-09-9

    Molecular formula
    C12H18

    SMILES
    CC(C)C1=CC=CC=C1C(C)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Herbal 65.19%
    Spicy 62.5%
    Woody 58.47%
    Fresh 43.09%
    Terpenic 43.03%
    Green 42.6%
    Citrus 40.53%
    Earthy 35.0%
    Phenolic 34.44%
    Pine 31.39%

     

    Flavor
    Woody 40.08%
    Spice 33.79%
    Citrus 32.55%
    Terpene 30.12%
    Fresh 28.65%
    Gasoline 26.44%
    Herb 26.12%
    Wood 24.61%
    Solvent 24.02%
    Herbal 23.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.92 (weak base)

    Molecular weight
    162.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -57 °C

    Boiling point

    • 205 °C
    • 204 °C at 760 mm Hg
    • Boiling point: 115.4 °C @ 50 mm Hg

    Flash point

    • 83.39 ˚C est.
    • 77 °C
    • 170 °F (Open cup)

    Solubility expt.

    • Sol in all proportions of alcohol, ether, acetone and benzene.

  • Synonyms

    • 1,2-DIISOPROPYLBENZENE
    • 25321-09-9
    • DIISOPROPYLBENZENE
    • 577-55-9
    • Benzene, 1,2-bis(1-methylethyl)-
    • o-Diisopropylbenzene
    • Benzene, o-diisopropyl-
    • 1,2-di(propan-2-yl)benzene
    • 1,2-Bis(1-methylethyl)benzene
    • 1,2-bis(propan-2-yl)benzene
    • 6E5460R9HG
    • HSDB 6773
    • EINECS 209-412-7
    • BRN 2040995
    • UNII-6E5460R9HG
    • diisopropyl benzene
    • di-isopropyl benzene
    • MFCD00054263
    • DSSTox_CID_7858
    • DSSTox_RID_78593
    • DSSTox_GSID_27858
    • CHEMBL3188905
    • DTXSID30860336
    • ABA32109
    • Benzene, 1,2-di-(1-methylethyl)
    • Diisopropylbenzene (contains isomer)
    • Tox21_202758
    • AKOS015890799
    • 1,2-DIISOPROPYLBENZENE [HSDB]
    • NCGC00260305-01
    • LS-14114
    • CAS-25321-09-9
    • NS00003402
    • D89744
    • Q27264653

  • Applications

    1,2-Diisopropylbenzene is primarily used as a non-polar organic solvent and processing diluent in industrial manufacturing, including coatings, inks, adhesives, and cleaning formulations. It also serves as a chemical intermediate in fragrance chemistry, acting as a precursor for aroma compounds used in perfumery. In cosmetics and personal care, it can function as a solvent or carrier for active ingredients and fragrance components. As a feedstock for the synthesis of specialty chemicals for polymers and plastics, it provides a versatile alkylated arene building block. It may be used in other industrial syntheses as a reagent or intermediate, and can appear in some household products as a solvent or formulation aid, subject to formulation limits and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 354.25
    methanol 237.47
    isopropanol 398.0
    water 0.11
    ethyl acetate 1556.82
    n-propanol 490.74
    acetone 1920.35
    n-butanol 582.03
    acetonitrile 922.64
    DMF 2053.29
    toluene 1729.4
    isobutanol 480.95
    1,4-dioxane 3131.66
    methyl acetate 1292.89
    THF 6380.78
    2-butanone 1708.16
    n-pentanol 441.69
    sec-butanol 496.17
    n-hexane 1697.43
    ethylene glycol 44.05
    NMP 2662.13
    cyclohexane 1886.62
    DMSO 1090.86
    n-butyl acetate 2470.25
    n-octanol 726.45
    chloroform 3276.62
    n-propyl acetate 1170.18
    acetic acid 249.61
    dichloromethane 3357.55
    cyclohexanone 3794.28
    propylene glycol 75.32
    isopropyl acetate 1181.39
    DMAc 1436.37
    2-ethoxyethanol 383.09
    isopentanol 582.16
    n-heptane 1209.84
    ethyl formate 763.23
    1,2-dichloroethane 2925.5
    n-hexanol 1138.68
    2-methoxyethanol 600.1
    isobutyl acetate 961.48
    tetrachloromethane 1054.51
    n-pentyl acetate 1197.78
    transcutol 1046.21
    n-heptanol 587.65
    ethylbenzene 1041.45
    MIBK 1230.7
    2-propoxyethanol 1055.42
    tert-butanol 630.54
    MTBE 1840.04
    2-butoxyethanol 563.12
    propionic acid 389.44
    o-xylene 1026.9
    formic acid 30.72
    diethyl ether 2241.61
    m-xylene 1210.26
    p-xylene 1217.69
    chlorobenzene 1726.88
    dimethyl carbonate 651.37
    n-octane 547.09
    formamide 76.8
    cyclopentanone 4774.43
    2-pentanone 1850.78
    anisole 1181.62
    cyclopentyl methyl ether 3707.94
    gamma-butyrolactone 3788.41
    1-methoxy-2-propanol 592.28
    pyridine 2102.75
    3-pentanone 1768.38
    furfural 1674.52
    n-dodecane 313.28
    diethylene glycol 360.19
    diisopropyl ether 1121.41
    tert-amyl alcohol 656.94
    acetylacetone 1624.12
    n-hexadecane 379.12
    acetophenone 857.29
    methyl propionate 1382.65
    isopentyl acetate 1920.32
    trichloroethylene 3877.0
    n-nonanol 615.84
    cyclohexanol 1127.06
    benzyl alcohol 447.87
    2-ethylhexanol 1044.82
    isooctanol 502.13
    dipropyl ether 2468.89
    1,2-dichlorobenzene 1414.06
    ethyl lactate 325.09
    propylene carbonate 1890.0
    n-methylformamide 567.61
    2-pentanol 585.83
    n-pentane 898.56
    1-propoxy-2-propanol 963.16
    1-methoxy-2-propyl acetate 1354.61
    2-(2-methoxypropoxy) propanol 478.98
    mesitylene 936.85
    ε-caprolactone 2508.63
    p-cymene 824.81
    epichlorohydrin 3601.82
    1,1,1-trichloroethane 3136.26
    2-aminoethanol 94.2
    morpholine-4-carbaldehyde 1932.99
    sulfolane 3813.51
    2,2,4-trimethylpentane 378.22
    2-methyltetrahydrofuran 4431.01
    n-hexyl acetate 1685.01
    isooctane 350.86
    2-(2-butoxyethoxy)ethanol 631.08
    sec-butyl acetate 833.44
    tert-butyl acetate 1491.91
    decalin 794.87
    glycerin 93.42
    diglyme 1354.5
    acrylic acid 288.28
    isopropyl myristate 802.06
    n-butyric acid 706.28
    acetyl acetate 868.59
    di(2-ethylhexyl) phthalate 384.52
    ethyl propionate 1140.1
    nitromethane 792.58
    1,2-diethoxyethane 1556.17
    benzonitrile 909.76
    trioctyl phosphate 410.64
    1-bromopropane 2348.92
    gamma-valerolactone 3248.05
    n-decanol 476.28
    triethyl phosphate 605.02
    4-methyl-2-pentanol 388.81
    propionitrile 1061.84
    vinylene carbonate 1337.03
    1,1,2-trichlorotrifluoroethane 938.73
    DMS 1130.79
    cumene 717.56
    2-octanol 558.93
    2-hexanone 1426.47
    octyl acetate 885.76
    limonene 1410.6
    1,2-dimethoxyethane 1741.72
    ethyl orthosilicate 604.96
    tributyl phosphate 513.35
    diacetone alcohol 838.96
    N,N-dimethylaniline 892.21
    acrylonitrile 971.13
    aniline 807.39
    1,3-propanediol 199.38
    bromobenzene 2266.1
    dibromomethane 2673.17
    1,1,2,2-tetrachloroethane 3216.57
    2-methyl-cyclohexyl acetate 1139.03
    tetrabutyl urea 700.02
    diisobutyl methanol 678.38
    2-phenylethanol 710.77
    styrene 1207.63
    dioctyl adipate 795.67
    dimethyl sulfate 946.45
    ethyl butyrate 1497.41
    methyl lactate 356.33
    butyl lactate 531.58
    diethyl carbonate 831.6
    propanediol butyl ether 370.88
    triethyl orthoformate 971.3
    p-tert-butyltoluene 834.25
    methyl 4-tert-butylbenzoate 795.55
    morpholine 2697.42
    tert-butylamine 598.71
    n-dodecanol 390.3
    dimethoxymethane 1689.93
    ethylene carbonate 1347.64
    cyrene 550.72
    2-ethoxyethyl acetate 989.56
    2-ethylhexyl acetate 1873.07
    1,2,4-trichlorobenzene 1350.54
    4-methylpyridine 2238.93
    dibutyl ether 2056.35
    2,6-dimethyl-4-heptanol 678.38
    DEF 1956.8
    dimethyl isosorbide 1329.08
    tetrachloroethylene 2100.82
    eugenol 541.33
    triacetin 777.96
    span 80 524.78
    1,4-butanediol 101.07
    1,1-dichloroethane 2601.5
    2-methyl-1-pentanol 448.95
    methyl formate 616.47
    2-methyl-1-butanol 581.67
    n-decane 552.74
    butyronitrile 1224.11
    3,7-dimethyl-1-octanol 661.83
    1-chlorooctane 1371.15
    1-chlorotetradecane 539.33
    n-nonane 659.5
    undecane 399.93
    tert-butylcyclohexane 698.23
    cyclooctane 989.9
    cyclopentanol 1247.19
    tetrahydropyran 4297.23
    tert-amyl methyl ether 1509.86
    2,5,8-trioxanonane 859.92
    1-hexene 2156.8
    2-isopropoxyethanol 381.77
    2,2,2-trifluoroethanol 114.86
    methyl butyrate 1451.77

    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