Isopropylphthalimide

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  • Identifiers

    CAS number
    304-17-6

    Molecular formula
    C11H11NO2

    SMILES
    CC(C)N1C(=O)C2=CC=CC=C2C1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 44.04%
    Mint 30.28%
    Herbal 27.87%
    Sweet 23.64%
    Cooling 23.09%
    Bitter 22.5%
    Burnt 21.93%
    Phenolic 20.93%
    Spicy 18.93%
    Musty 17.78%

     

    Flavor
    Bitter 89.29%
    Odorless 23.35%
    Cedarleaf 19.58%
    Lovage 18.78%
    Nitrile 18.77%
    Sweet-like 17.69%
    Basil 17.64%
    Broom 17.62%
    Heather 17.6%
    Parsley 17.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.02 (neutral)

    Molecular weight
    189.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Flash point

    • 156.2 ˚C est.

  • Synonyms

    • N-Isopropylphthalimide
    • 304-17-6
    • isopropylphthalimide
    • Phthalimide, N-isopropyl-
    • 1H-Isoindole-1,3(2H)-dione, 2-(1-methylethyl)-
    • Isopropyl phthalimide
    • N-Isopropylftalimid
    • N-Isopropilftalimmide
    • N-Isopropylftalimid [Czech]
    • N-Isopropilftalimmide [Italian]
    • EINECS 206-150-5
    • NSC 406141
    • BRN 0148021
    • DTXSID6044644
    • AI3-01396
    • PELEMOL BIP-PC
    • ETHOX BIP-HP
    • 1J1MM83329
    • NSC-406141
    • DTXCID4024644
    • 5-21-10-00278 (Beilstein Handbook Reference)
    • RefChem:792260
    • ISOPROPYLPHTHALIMIDE [INCI]
    • 206-150-5
    • 2-Isopropylisoindoline-1,3-dione
    • MFCD00014582
    • 2-propan-2-ylisoindole-1,3-dione
    • 2-(propan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
    • UNII-1J1MM83329
    • NSC406141
    • SCHEMBL166122
    • orb1306699
    • SCHEMBL6553580
    • SCHEMBL6954298
    • CHEMBL3185777
    • SCHEMBL18342265
    • SCHEMBL27694853
    • SCHEMBL29381145
    • 2-Isopropyl-isoindole-1,3-dione
    • Tox21_302473
    • AKOS003267434
    • WLN: T56 BVNVJ CY1 & 1
    • SB64073
    • 1H-Isoindole-1, 2-(1-methylethyl)-
    • NCGC00256851-01
    • AS-66971
    • CAS-304-17-6
    • SY053171
    • DB-047776
    • CS-0154203
    • I0738
    • NS00021111
    • D91197
    • 2-(Propan-2-yl)-1H-isoindole-1,3(2H)-dione
    • SR-01000532584
    • SR-01000532584-1
    • Q27252475
    • Z53835247
    • 304-17-6

  • Applications

    Isopropylphthalimide (CAS 304-17-6) is primarily used as an organic-synthesis intermediate and an amine-protecting reagent: it serves as a precursor for phthalimide- and isopropyl-substituted amine derivatives and can be deprotected to release primary amines in subsequent steps. It is commonly employed as a protecting group in Gabriel-type syntheses and related routes. The compound also acts as a building block for imide-containing polymers and polyimides, contributing to specialty materials used in coatings, adhesives, and electronics-related applications. In pharmaceutical and fine-chemical manufacturing, it functions as a synthetic intermediate for more complex molecules, and it is utilized in research and development as a versatile starting point for imide chemistry. Overall, its role is largely as an intermediate and protected-amine source in diverse chemical workflows, subject to formulation and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.02
    methanol 34.39
    isopropanol 20.83
    water 1.09
    ethyl acetate 31.35
    n-propanol 25.54
    acetone 48.6
    n-butanol 23.33
    acetonitrile 40.58
    DMF 180.01
    toluene 25.84
    isobutanol 19.39
    1,4-dioxane 63.21
    methyl acetate 40.6
    THF 77.66
    2-butanone 40.21
    n-pentanol 22.6
    sec-butanol 20.94
    n-hexane 1.39
    ethylene glycol 20.75
    NMP 178.09
    cyclohexane 3.49
    DMSO 80.05
    n-butyl acetate 30.22
    n-octanol 22.53
    chloroform 203.74
    n-propyl acetate 26.72
    acetic acid 48.5
    dichloromethane 169.79
    cyclohexanone 88.26
    propylene glycol 22.99
    isopropyl acetate 20.17
    DMAc 126.5
    2-ethoxyethanol 35.71
    isopentanol 20.23
    n-heptane 1.85
    ethyl formate 49.83
    1,2-dichloroethane 86.53
    n-hexanol 26.71
    2-methoxyethanol 63.32
    isobutyl acetate 17.24
    tetrachloromethane 21.11
    n-pentyl acetate 30.21
    transcutol 37.09
    n-heptanol 20.11
    ethylbenzene 18.66
    MIBK 22.93
    2-propoxyethanol 50.39
    tert-butanol 20.87
    MTBE 11.23
    2-butoxyethanol 35.7
    propionic acid 43.52
    o-xylene 21.71
    formic acid 26.8
    diethyl ether 12.46
    m-xylene 20.77
    p-xylene 26.32
    chlorobenzene 73.85
    dimethyl carbonate 35.12
    n-octane 1.87
    formamide 47.78
    cyclopentanone 107.86
    2-pentanone 32.28
    anisole 36.02
    cyclopentyl methyl ether 30.58
    gamma-butyrolactone 131.96
    1-methoxy-2-propanol 47.9
    pyridine 98.34
    3-pentanone 26.77
    furfural 157.75
    n-dodecane 2.82
    diethylene glycol 56.16
    diisopropyl ether 5.2
    tert-amyl alcohol 19.9
    acetylacetone 47.42
    n-hexadecane 3.29
    acetophenone 50.82
    methyl propionate 39.69
    isopentyl acetate 26.9
    trichloroethylene 200.07
    n-nonanol 20.94
    cyclohexanol 30.77
    benzyl alcohol 49.85
    2-ethylhexanol 18.51
    isooctanol 16.67
    dipropyl ether 11.42
    1,2-dichlorobenzene 82.69
    ethyl lactate 32.94
    propylene carbonate 94.44
    n-methylformamide 78.17
    2-pentanol 14.58
    n-pentane 1.39
    1-propoxy-2-propanol 33.38
    1-methoxy-2-propyl acetate 37.04
    2-(2-methoxypropoxy) propanol 41.88
    mesitylene 13.4
    ε-caprolactone 79.49
    p-cymene 15.79
    epichlorohydrin 114.89
    1,1,1-trichloroethane 62.14
    2-aminoethanol 29.19
    morpholine-4-carbaldehyde 127.75
    sulfolane 162.62
    2,2,4-trimethylpentane 1.41
    2-methyltetrahydrofuran 46.61
    n-hexyl acetate 39.43
    isooctane 1.14
    2-(2-butoxyethoxy)ethanol 41.49
    sec-butyl acetate 16.05
    tert-butyl acetate 19.41
    decalin 3.47
    glycerin 38.03
    diglyme 62.18
    acrylic acid 54.62
    isopropyl myristate 19.25
    n-butyric acid 42.4
    acetyl acetate 27.34
    di(2-ethylhexyl) phthalate 33.71
    ethyl propionate 25.98
    nitromethane 81.01
    1,2-diethoxyethane 21.75
    benzonitrile 77.94
    trioctyl phosphate 24.84
    1-bromopropane 33.54
    gamma-valerolactone 125.1
    n-decanol 17.89
    triethyl phosphate 21.96
    4-methyl-2-pentanol 11.22
    propionitrile 38.12
    vinylene carbonate 105.52
    1,1,2-trichlorotrifluoroethane 98.66
    DMS 48.47
    cumene 14.51
    2-octanol 16.64
    2-hexanone 27.44
    octyl acetate 26.7
    limonene 17.48
    1,2-dimethoxyethane 56.76
    ethyl orthosilicate 18.55
    tributyl phosphate 25.45
    diacetone alcohol 33.83
    N,N-dimethylaniline 30.34
    acrylonitrile 69.36
    aniline 43.42
    1,3-propanediol 34.8
    bromobenzene 72.68
    dibromomethane 100.03
    1,1,2,2-tetrachloroethane 142.33
    2-methyl-cyclohexyl acetate 30.14
    tetrabutyl urea 37.54
    diisobutyl methanol 11.16
    2-phenylethanol 51.81
    styrene 22.44
    dioctyl adipate 30.24
    dimethyl sulfate 63.94
    ethyl butyrate 24.41
    methyl lactate 45.59
    butyl lactate 34.22
    diethyl carbonate 23.47
    propanediol butyl ether 34.4
    triethyl orthoformate 20.05
    p-tert-butyltoluene 13.99
    methyl 4-tert-butylbenzoate 53.09
    morpholine 60.45
    tert-butylamine 12.18
    n-dodecanol 15.13
    dimethoxymethane 61.97
    ethylene carbonate 77.6
    cyrene 67.4
    2-ethoxyethyl acetate 33.61
    2-ethylhexyl acetate 23.17
    1,2,4-trichlorobenzene 91.09
    4-methylpyridine 84.71
    dibutyl ether 14.92
    2,6-dimethyl-4-heptanol 11.16
    DEF 54.16
    dimethyl isosorbide 74.09
    tetrachloroethylene 99.02
    eugenol 62.8
    triacetin 42.53
    span 80 41.16
    1,4-butanediol 23.79
    1,1-dichloroethane 65.4
    2-methyl-1-pentanol 21.86
    methyl formate 74.09
    2-methyl-1-butanol 20.62
    n-decane 3.66
    butyronitrile 39.91
    3,7-dimethyl-1-octanol 19.57
    1-chlorooctane 17.04
    1-chlorotetradecane 8.85
    n-nonane 3.14
    undecane 3.19
    tert-butylcyclohexane 2.81
    cyclooctane 1.48
    cyclopentanol 40.55
    tetrahydropyran 38.13
    tert-amyl methyl ether 12.3
    2,5,8-trioxanonane 56.55
    1-hexene 6.58
    2-isopropoxyethanol 26.23
    2,2,2-trifluoroethanol 35.72
    methyl butyrate 38.31

    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