Imiquimod

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  • Identifiers

    CAS number
    99011-02-6

    Molecular formula
    C14H16N4

    SMILES
    CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 39.33%
    Animal 37.35%
    Burnt 30.28%
    Roasted 29.48%
    Earthy 24.3%
    Musty 22.35%
    Grape 22.34%
    Nutty 21.12%
    Bitter 20.58%
    Odorless 20.5%

     

    Flavor
    Bitter 74.48%
    Odorless 21.76%
    Cedarleaf 21.08%
    Carrot 20.6%
    Green pepper 20.48%
    Syrup 20.28%
    Very strong 20.03%
    Indole 19.74%
    Tomato leaf 19.58%
    Nitrile 19.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.4 (weak acid)

    Molecular weight
    240.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    626°C

    Melting point expt.

    • 292-294 °C
    • 292 - 294 °C

    Flash point

    • 265.24 ˚C est.

    Solubility expt.

    • Poorly soluble
    • 2.47e-01 g/L

  • Synonyms

    • IMIQUIMOD
    • 99011-02-6
    • Aldara
    • Zyclara
    • 1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine
    • 1-isobutyl-1H-imidazo[4,5-c]quinolin-4-amine
    • 4-Amino-1-isobutyl-1H-imidazo[4,5-c]quinoline
    • R 837
    • R-837
    • S-26308
    • 4-Amino-1-isobutyl-1H-imidazo(4,5-c)quinoline
    • TMX-101
    • Imiquimodum
    • DTXSID7041047
    • S 26308
    • S26308
    • NSC-369100
    • NSC-759651
    • P1QW714R7M
    • TMX 101
    • 1H-Imidazo(4,5-c)quinolin-4-amine, 1-(2-methylpropyl)-
    • R837
    • 1H-Imidazo[4,5-c]quinolin-4-amine, 1-(2-methylpropyl)-
    • DTXCID5021047
    • CHEBI:36704
    • 1-isobutyl-1H-imidazo(4,5-c)quinolin-4-amine
    • NSC369100
    • 1-(2-methylpropyl)-1H-imidazo(4,5-c)quinolin-4-amine
    • RefChem:57767
    • D06BB10
    • NSC741062
    • 619-387-8
    • Beselna
    • 9050-31-1
    • 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
    • (Hydroxypropyl)methyl cellulose phthalate
    • MFCD00866946
    • 1-(2-Methylpropyl)-1H-imidazole[4,5-c]quinoline-4-amine
    • 1-isobutylimidazo[4,5-c]quinolin-4-amine
    • CHEMBL1282
    • NCGC00070736-02
    • Zartra
    • Imiquimod acetate
    • Hpmcp
    • Aldara (TN)
    • CAS-99011-02-6
    • SR-01000611320
    • UNII-P1QW714R7M
    • Imiqimod
    • Imiquimod [USAN:INN:BAN]
    • Vyloma
    • imiquimod?
    • MTD-39
    • HSDB 8129
    • 6T0
    • Zyclara (TN)
    • Imiquimod (Standard)
    • DZ-2636
    • Hydroxypropyl Methyl Cellulose Phthalate
    • IMIQUIMOD [INN]
    • IMIQUIMOD [JAN]
    • IMIQUIMOD [MI]
    • IMIQUIMOD [USAN]
    • IMIQUIMOD [VANDF]
    • Hypromellose phthalate CRS
    • IMIQUIMOD [MART.]
    • Cellulose, hydrogen 1,2-benzenedicarboxylate, 2-hydroxypropyl methyl ether
    • IMIQUIMOD [USP-RS]
    • IMIQUIMOD [WHO-DD]
    • Imiquimod (JAN/USP/INN)
    • 4-amino- 1-isobutyl-1h-imidazo[4,5-c]quinoline
    • SCHEMBL26136
    • IMIQUIMOD [EMA EPAR]
    • MLS000083577
    • BIDD:GT0859
    • Imiquimod - Bio-X trade mark
    • GTPL5003
    • orb1310904
    • orb3025454
    • IMIQUIMOD [ORANGE BOOK]
    • SCHEMBL29357252
    • HY-B0180R
    • IMIQUIMOD [USP MONOGRAPH]
    • GLXC-05818
    • HMS2090M14
    • HMS2232G07
    • HMS3373B13
    • HMS3715N19
    • HMS3747A13
    • HMS5087E15
    • Pharmakon1600-01502351
    • ALBB-038634
    • BB_SC-02107
    • HY-B0180
    • MSK10029
    • Tox21_110985
    • AC-529
    • BBL010772
    • BDBM50240849
    • EBC-07888
    • HB3109
    • NSC759651
    • NSC811538
    • NSC828389
    • s1211
    • STK583860
    • Imiquimod - CAS 99011-02-6
    • Imiquimod, >=98% (HPLC), solid
    • AKOS005507352
    • Tox21_110985_1
    • 1H-Imidazo[4, 1-(2-methylpropyl)-
    • CCG-208015
    • CS-2058
    • DB00724
    • FI24563
    • KS-5218
    • NSC 369100
    • NSC 741062
    • NSC 759651
    • NSC-811538
    • NSC-828389
    • YH44175
    • Imiquimod 100 microg/mL in Acetonitrile
    • NCGC00070736-03
    • NCGC00070736-04
    • BI164576
    • SMR000048307
    • 9050-31-1

  • Applications

    Imiquimod, CAS 99011-02-6, is primarily used as an active pharmaceutical ingredient for topical dermatological formulations, functioning as an immune response modifier. In pharmaceutical development and manufacturing, it is handled as a small-molecule API for prescription topical products and as a reference material for quality control. In research contexts, it is employed as a tool compound to study innate immune signaling, notably as a selective TLR7 agonist in immunology studies. It may also be evaluated for formulation development and analytical method development within pharmaceutical operations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.97
    methanol 81.02
    isopropanol 50.04
    water 0.44
    ethyl acetate 66.93
    n-propanol 80.45
    acetone 145.47
    n-butanol 86.35
    acetonitrile 40.62
    DMF 349.48
    toluene 42.67
    isobutanol 73.88
    1,4-dioxane 101.99
    methyl acetate 80.0
    THF 347.27
    2-butanone 127.11
    n-pentanol 66.37
    sec-butanol 58.26
    n-hexane 2.43
    ethylene glycol 49.87
    NMP 410.6
    cyclohexane 4.75
    DMSO 302.05
    n-butyl acetate 84.61
    n-octanol 15.18
    chloroform 277.51
    n-propyl acetate 56.58
    acetic acid 156.96
    dichloromethane 286.65
    cyclohexanone 220.47
    propylene glycol 62.85
    isopropyl acetate 42.85
    DMAc 271.85
    2-ethoxyethanol 126.81
    isopentanol 79.56
    n-heptane 2.06
    ethyl formate 95.24
    1,2-dichloroethane 188.74
    n-hexanol 74.17
    2-methoxyethanol 236.29
    isobutyl acetate 52.0
    tetrachloromethane 28.65
    n-pentyl acetate 50.43
    transcutol 135.1
    n-heptanol 31.59
    ethylbenzene 17.13
    MIBK 55.02
    2-propoxyethanol 165.88
    tert-butanol 48.82
    MTBE 33.55
    2-butoxyethanol 83.38
    propionic acid 98.2
    o-xylene 24.07
    formic acid 87.85
    diethyl ether 31.94
    m-xylene 26.36
    p-xylene 26.6
    chlorobenzene 97.83
    dimethyl carbonate 67.46
    n-octane 0.86
    formamide 113.97
    cyclopentanone 352.91
    2-pentanone 99.63
    anisole 41.64
    cyclopentyl methyl ether 103.22
    gamma-butyrolactone 373.67
    1-methoxy-2-propanol 145.68
    pyridine 180.35
    3-pentanone 67.23
    furfural 396.86
    n-dodecane 0.73
    diethylene glycol 154.08
    diisopropyl ether 8.3
    tert-amyl alcohol 53.27
    acetylacetone 114.59
    n-hexadecane 0.83
    acetophenone 70.53
    methyl propionate 87.11
    isopentyl acetate 81.56
    trichloroethylene 441.24
    n-nonanol 15.23
    cyclohexanol 79.34
    benzyl alcohol 90.18
    2-ethylhexanol 43.13
    isooctanol 26.83
    dipropyl ether 20.95
    1,2-dichlorobenzene 84.19
    ethyl lactate 50.95
    propylene carbonate 203.0
    n-methylformamide 171.24
    2-pentanol 44.28
    n-pentane 2.94
    1-propoxy-2-propanol 86.56
    1-methoxy-2-propyl acetate 85.4
    2-(2-methoxypropoxy) propanol 55.57
    mesitylene 12.88
    ε-caprolactone 178.56
    p-cymene 16.57
    epichlorohydrin 452.47
    1,1,1-trichloroethane 95.42
    2-aminoethanol 80.39
    morpholine-4-carbaldehyde 276.73
    sulfolane 439.02
    2,2,4-trimethylpentane 2.64
    2-methyltetrahydrofuran 176.59
    n-hexyl acetate 43.36
    isooctane 1.61
    2-(2-butoxyethoxy)ethanol 77.35
    sec-butyl acetate 34.45
    tert-butyl acetate 43.14
    decalin 3.32
    glycerin 115.53
    diglyme 126.77
    acrylic acid 123.85
    isopropyl myristate 14.05
    n-butyric acid 139.21
    acetyl acetate 47.67
    di(2-ethylhexyl) phthalate 36.08
    ethyl propionate 41.3
    nitromethane 205.91
    1,2-diethoxyethane 36.61
    benzonitrile 88.06
    trioctyl phosphate 23.94
    1-bromopropane 68.02
    gamma-valerolactone 416.8
    n-decanol 12.24
    triethyl phosphate 32.09
    4-methyl-2-pentanol 29.17
    propionitrile 49.99
    vinylene carbonate 191.05
    1,1,2-trichlorotrifluoroethane 305.59
    DMS 54.32
    cumene 13.89
    2-octanol 15.55
    2-hexanone 66.16
    octyl acetate 24.05
    limonene 22.36
    1,2-dimethoxyethane 142.74
    ethyl orthosilicate 30.73
    tributyl phosphate 26.73
    diacetone alcohol 79.25
    N,N-dimethylaniline 32.2
    acrylonitrile 84.66
    aniline 93.04
    1,3-propanediol 110.87
    bromobenzene 85.84
    dibromomethane 157.27
    1,1,2,2-tetrachloroethane 289.67
    2-methyl-cyclohexyl acetate 54.57
    tetrabutyl urea 35.58
    diisobutyl methanol 16.67
    2-phenylethanol 92.93
    styrene 23.91
    dioctyl adipate 27.71
    dimethyl sulfate 131.06
    ethyl butyrate 44.89
    methyl lactate 89.55
    butyl lactate 58.62
    diethyl carbonate 34.79
    propanediol butyl ether 67.17
    triethyl orthoformate 35.94
    p-tert-butyltoluene 14.92
    methyl 4-tert-butylbenzoate 50.12
    morpholine 164.34
    tert-butylamine 24.62
    n-dodecanol 9.29
    dimethoxymethane 157.67
    ethylene carbonate 136.24
    cyrene 107.82
    2-ethoxyethyl acetate 72.8
    2-ethylhexyl acetate 63.91
    1,2,4-trichlorobenzene 109.15
    4-methylpyridine 155.16
    dibutyl ether 10.5
    2,6-dimethyl-4-heptanol 16.67
    DEF 116.83
    dimethyl isosorbide 110.39
    tetrachloroethylene 194.86
    eugenol 66.74
    triacetin 43.52
    span 80 52.85
    1,4-butanediol 62.23
    1,1-dichloroethane 112.83
    2-methyl-1-pentanol 70.24
    methyl formate 160.57
    2-methyl-1-butanol 84.14
    n-decane 0.98
    butyronitrile 63.69
    3,7-dimethyl-1-octanol 19.59
    1-chlorooctane 7.54
    1-chlorotetradecane 3.34
    n-nonane 0.8
    undecane 0.83
    tert-butylcyclohexane 2.69
    cyclooctane 1.55
    cyclopentanol 113.52
    tetrahydropyran 106.01
    tert-amyl methyl ether 31.48
    2,5,8-trioxanonane 87.36
    1-hexene 12.47
    2-isopropoxyethanol 80.44
    2,2,2-trifluoroethanol 83.13
    methyl butyrate 76.8

    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