1,4-Diisopropylbenzene

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  • Identifiers

    CAS number
    100-18-5

    Molecular formula
    C12H18

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Herbal 67.78%
    Spicy 63.93%
    Woody 58.71%
    Fresh 47.99%
    Green 47.04%
    Terpenic 45.21%
    Citrus 43.09%
    Earthy 37.02%
    Phenolic 34.24%
    Pine 32.64%

     

    Flavor
    Woody 47.68%
    Citrus 38.62%
    Spice 37.16%
    Terpene 36.15%
    Fresh 31.44%
    Gasoline 29.98%
    Herbal 28.95%
    Herb 28.42%
    Wood 28.12%
    Solvent 26.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.93 (weak base)

    Molecular weight
    162.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -17.1 °C

    Boiling point

    • 210.3 °C

    Flash point

    • 83.22 ˚C est.

    Solubility expt.

    • INSOL IN WATER
    • Sol in all proportions of alcohol, ether, acetone, benzene.

  • Synonyms

    • 1,4-DIISOPROPYLBENZENE
    • p-Diisopropylbenzene
    • Benzene, 1,4-bis(1-methylethyl)-
    • Benzene, p-diisopropyl-
    • p-Diisopropylbenzol
    • 1,4-Bis(1-methylethyl)benzene
    • para-Diisopropylbenzene
    • HSDB 5331
    • 4-Isopropylcumene
    • EINECS 202-826-9
    • NSC 84198
    • UNII-5M62031NZP
    • BRN 1854739
    • DTXSID2026652
    • 5M62031NZP
    • 1,4-diisopropyl benzene
    • NSC-84198
    • Benzene, 1,4-diisopropyl-
    • P-DI-ISO-PROPYLBENZENE
    • DTXCID106652
    • EC 202-826-9
    • 1,4-BIS(ISOPROPYL)BENZENE
    • 4-05-00-01126 (Beilstein Handbook Reference)
    • Benzene, 1,4-di-(1-methylethyl)
    • 1,4-DIISOPROPYLBENZENE [HSDB]
    • pDiisopropylbenzol
    • pDiisopropylbenzene
    • paraDiisopropylbenzene
    • Benzene, pdiisopropyl
    • RefChem:73283
    • 1,4Bis(1methylethyl)benzene
    • Benzene, 1,4bis(1methylethyl)
    • 202-826-9
    • SPPWGCYEYAMHDT-UHFFFAOYSA-N
    • 100-18-5
    • 1,4-di(propan-2-yl)benzene
    • MFCD00008892
    • 1,4-bis(propan-2-yl)benzene
    • CAS-100-18-5
    • 1,4-Di-isopropylbenzene
    • Benzene, p-diisopropyl-,
    • 1,4-bis(methylethyl)benzene
    • SCHEMBL104124
    • 1,4-Diisopropylbenzene, 97%
    • 1,4-Diisopropylbenzene, 98%
    • orb3023742
    • orb3026114
    • SCHEMBL1005448
    • SCHEMBL1188027
    • SCHEMBL1204762
    • SCHEMBL1552000
    • SCHEMBL2470753
    • SCHEMBL7562412
    • SCHEMBL9539624
    • Benzene,4-bis(1-methylethyl)-
    • CHEMBL1872836
    • AAA10018
    • NSC84198
    • Tox21_201380
    • Tox21_303217
    • CCG-40478
    • AKOS009031475
    • CS-W023159
    • MSK162555-1000L
    • NCGC00164049-01
    • NCGC00164049-02
    • NCGC00257053-01
    • NCGC00258931-01
    • AC-14064
    • BS-14134
    • SY011158
    • 1,4-Diisopropylbenzene, analytical standard
    • D0928
    • NS00005895
    • ST50406203
    • EN300-20056
    • F17113
    • F239405
    • Q27262542
    • 1,4-Diisopropylbenzene Solution in Dichloromethane, 1000ug/mL
    • InChI=1/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H
    • 100-18-5

  • Applications

    1,4-Diisopropylbenzene (CAS 100-18-5) is used primarily as an intermediate in the synthesis of specialty chemicals: as a starting material for aromatic monomers used in polymers, and as a precursor for dyes and pigments, along with other industrial intermediates. It also serves as a building block for many polymers and coatings, being converted into monomers or crosslinking agents and additives for coating formulations. As a nonpolar aromatic hydrocarbon, it may be used as a solvent or processing aid in certain industrial formulations under appropriate conditions and in compliance with regulatory requirements. In research and development, 1,4-Diisopropylbenzene is often viewed as a platform for preparing para-disubstituted aromatic derivatives for various applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 143.72
    methanol 90.96
    isopropanol 109.88
    water 0.06
    ethyl acetate 671.83
    n-propanol 163.63
    acetone 548.42
    n-butanol 218.34
    acetonitrile 302.54
    DMF 538.09
    toluene 871.46
    isobutanol 139.27
    1,4-dioxane 1400.04
    methyl acetate 474.51
    THF 2003.62
    2-butanone 572.15
    n-pentanol 168.44
    sec-butanol 152.43
    n-hexane 887.13
    ethylene glycol 11.43
    NMP 904.18
    cyclohexane 951.04
    DMSO 247.03
    n-butyl acetate 1210.84
    n-octanol 128.16
    chloroform 1636.68
    n-propyl acetate 475.65
    acetic acid 142.52
    dichloromethane 1372.31
    cyclohexanone 1168.22
    propylene glycol 22.74
    isopropyl acetate 481.02
    DMAc 616.19
    2-ethoxyethanol 187.37
    isopentanol 231.81
    n-heptane 452.36
    ethyl formate 229.8
    1,2-dichloroethane 1177.29
    n-hexanol 395.36
    2-methoxyethanol 215.59
    isobutyl acetate 399.85
    tetrachloromethane 470.99
    n-pentyl acetate 401.19
    transcutol 952.17
    n-heptanol 153.25
    ethylbenzene 457.2
    MIBK 405.93
    2-propoxyethanol 446.48
    tert-butanol 257.3
    MTBE 930.55
    2-butoxyethanol 221.45
    propionic acid 146.04
    o-xylene 467.25
    formic acid 19.01
    diethyl ether 1223.66
    m-xylene 458.68
    p-xylene 562.96
    chlorobenzene 825.07
    dimethyl carbonate 204.15
    n-octane 132.9
    formamide 45.14
    cyclopentanone 1210.38
    2-pentanone 567.85
    anisole 626.31
    cyclopentyl methyl ether 1179.55
    gamma-butyrolactone 985.28
    1-methoxy-2-propanol 195.93
    pyridine 1140.89
    3-pentanone 680.34
    furfural 692.99
    n-dodecane 57.3
    diethylene glycol 129.21
    diisopropyl ether 505.43
    tert-amyl alcohol 300.06
    acetylacetone 548.74
    n-hexadecane 72.47
    acetophenone 467.92
    methyl propionate 446.82
    isopentyl acetate 1049.63
    trichloroethylene 1843.29
    n-nonanol 141.25
    cyclohexanol 338.29
    benzyl alcohol 215.19
    2-ethylhexanol 435.11
    isooctanol 156.39
    dipropyl ether 1283.04
    1,2-dichlorobenzene 746.83
    ethyl lactate 114.29
    propylene carbonate 596.5
    n-methylformamide 131.3
    2-pentanol 194.61
    n-pentane 396.52
    1-propoxy-2-propanol 414.04
    1-methoxy-2-propyl acetate 746.41
    2-(2-methoxypropoxy) propanol 300.98
    mesitylene 341.03
    ε-caprolactone 854.5
    p-cymene 344.01
    epichlorohydrin 1123.58
    1,1,1-trichloroethane 1279.51
    2-aminoethanol 35.38
    morpholine-4-carbaldehyde 750.66
    sulfolane 989.65
    2,2,4-trimethylpentane 202.01
    2-methyltetrahydrofuran 1546.73
    n-hexyl acetate 487.09
    isooctane 146.38
    2-(2-butoxyethoxy)ethanol 349.19
    sec-butyl acetate 437.58
    tert-butyl acetate 632.47
    decalin 361.79
    glycerin 31.99
    diglyme 814.48
    acrylic acid 116.69
    isopropyl myristate 299.96
    n-butyric acid 308.48
    acetyl acetate 445.82
    di(2-ethylhexyl) phthalate 206.66
    ethyl propionate 509.95
    nitromethane 302.95
    1,2-diethoxyethane 1043.42
    benzonitrile 381.01
    trioctyl phosphate 141.25
    1-bromopropane 1009.45
    gamma-valerolactone 1021.31
    n-decanol 113.06
    triethyl phosphate 366.21
    4-methyl-2-pentanol 159.92
    propionitrile 365.88
    vinylene carbonate 465.27
    1,1,2-trichlorotrifluoroethane 436.79
    DMS 419.08
    cumene 296.6
    2-octanol 109.55
    2-hexanone 528.35
    octyl acetate 293.26
    limonene 587.24
    1,2-dimethoxyethane 798.73
    ethyl orthosilicate 417.02
    tributyl phosphate 215.31
    diacetone alcohol 322.38
    N,N-dimethylaniline 445.31
    acrylonitrile 309.88
    aniline 434.05
    1,3-propanediol 73.86
    bromobenzene 1039.17
    dibromomethane 1113.27
    1,1,2,2-tetrachloroethane 1571.57
    2-methyl-cyclohexyl acetate 681.62
    tetrabutyl urea 267.0
    diisobutyl methanol 288.56
    2-phenylethanol 362.82
    styrene 548.5
    dioctyl adipate 353.63
    dimethyl sulfate 265.11
    ethyl butyrate 860.58
    methyl lactate 97.7
    butyl lactate 187.94
    diethyl carbonate 552.47
    propanediol butyl ether 106.1
    triethyl orthoformate 693.22
    p-tert-butyltoluene 364.54
    methyl 4-tert-butylbenzoate 375.27
    morpholine 1217.6
    tert-butylamine 294.15
    n-dodecanol 96.25
    dimethoxymethane 518.46
    ethylene carbonate 424.92
    cyrene 265.5
    2-ethoxyethyl acetate 495.16
    2-ethylhexyl acetate 1061.65
    1,2,4-trichlorobenzene 796.39
    4-methylpyridine 1073.07
    dibutyl ether 675.26
    2,6-dimethyl-4-heptanol 288.56
    DEF 728.44
    dimethyl isosorbide 794.4
    tetrachloroethylene 1088.88
    eugenol 275.1
    triacetin 369.32
    span 80 261.79
    1,4-butanediol 31.3
    1,1-dichloroethane 937.74
    2-methyl-1-pentanol 232.56
    methyl formate 120.77
    2-methyl-1-butanol 216.36
    n-decane 114.01
    butyronitrile 397.38
    3,7-dimethyl-1-octanol 203.57
    1-chlorooctane 316.79
    1-chlorotetradecane 141.28
    n-nonane 119.58
    undecane 75.83
    tert-butylcyclohexane 323.51
    cyclooctane 411.16
    cyclopentanol 268.19
    tetrahydropyran 1723.75
    tert-amyl methyl ether 755.96
    2,5,8-trioxanonane 550.14
    1-hexene 1064.21
    2-isopropoxyethanol 173.68
    2,2,2-trifluoroethanol 54.66
    methyl butyrate 564.86

    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