N-Butylphthalimide

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  • Identifiers

    CAS number
    1515-72-6

    Molecular formula
    C12H13NO2

    SMILES
    CCCCN1C(=O)C2=CC=CC=C2C1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 45.52%
    Spicy 33.88%
    Odorless 30.7%
    Mint 29.91%
    Sweet 28.7%
    Green 25.21%
    Cooling 23.93%
    Celery 22.68%
    Phenolic 22.37%
    Bitter 21.65%

     

    Flavor
    Bitter 77.64%
    Herbal 24.38%
    Lovage 21.08%
    Cedarleaf 20.31%
    Odorless 19.37%
    Nitrile 18.45%
    Basil 18.43%
    Parsley 18.26%
    Outdoor 18.0%
    Heather 17.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.29 (neutral)

    Molecular weight
    203.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point

    • 165.47 ˚C est.

  • Synonyms

    • N-Butylphthalimide
    • 1515-72-6
    • N-(n-Butyl)Phthalimide
    • 1H-Isoindole-1,3(2H)-dione, 2-butyl-
    • 1-Phthalimidobutane
    • butylphthalimide
    • 2-Butyl-1H-isoindole-1,3(2H)-dione
    • N-n-Butylphthalimide
    • UNII-5TH1DKT35E
    • 5TH1DKT35E
    • DTXSID8044591
    • NSC 3559
    • NSC-3559
    • EINECS 216-157-5
    • AI3-02418
    • DTXCID6024591
    • RefChem:163065
    • BUTYLPHTHALIMIDE [INCI]
    • 216-157-5
    • DLKDEVCJRCPTLN-UHFFFAOYSA-N
    • 2-Butylisoindoline-1,3-dione
    • 2-butylisoindole-1,3-dione
    • Phthalimide, N-butyl-
    • MFCD00039695
    • 2-butyl-2,3-dihydro-1H-isoindole-1,3-dione
    • 2-butylbenzo[c]azoline-1,3-dione
    • NSC3559
    • N-Butyl-phthalimid
    • N-Butylphthalimide, 97%
    • 1H-Isoindole-1, 2-butyl-
    • CHEMBL79250
    • SCHEMBL149620
    • SCHEMBL1233843
    • SCHEMBL5177139
    • SCHEMBL9207150
    • SCHEMBL29511230
    • Tox21_301961
    • SBB058038
    • STK067192
    • AKOS003510799
    • SB64062
    • NCGC00186535-01
    • NCGC00255998-01
    • AS-62680
    • SY048693
    • 2-Butyl-1H-isoindole-1,3(2H)-dione #
    • CAS-1515-72-6
    • B0736
    • CS-0297679
    • NS00019874
    • ST50307870
    • D88678
    • F238793
    • Q27262846
    • Z276509092
    • 1515-72-6

  • Applications

    N-Butylphthalimide (CAS 1515-72-6) is an N-alkyl phthalimide that serves as a key intermediate in organic synthesis. In practice, it is commonly used to prepare primary amines via the Gabriel synthesis: alkylation of the phthalimide nitrogen with an alkyl halide followed by hydrolysis to give the corresponding primary amine (for example, butylamine), providing a building block for pharmaceutical and fine chemical syntheses. It also serves as a precursor for amine-containing intermediates in pharmaceutical and agricultural chemical production, and as a starting point for the synthesis of imide/phthalimide derivatives and related polyimide materials used in industrial applications. Additionally, it is considered a flexible source of primary amine for research and development of materials and related technologies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.42
    methanol 57.08
    isopropanol 41.62
    water 0.13
    ethyl acetate 84.21
    n-propanol 50.02
    acetone 150.58
    n-butanol 52.84
    acetonitrile 91.32
    DMF 610.35
    toluene 67.39
    isobutanol 40.6
    1,4-dioxane 154.68
    methyl acetate 110.63
    THF 208.58
    2-butanone 134.8
    n-pentanol 41.35
    sec-butanol 44.34
    n-hexane 1.17
    ethylene glycol 19.14
    NMP 420.37
    cyclohexane 4.87
    DMSO 158.28
    n-butyl acetate 75.82
    n-octanol 23.42
    chloroform 410.77
    n-propyl acetate 57.85
    acetic acid 102.18
    dichloromethane 380.33
    cyclohexanone 258.88
    propylene glycol 25.47
    isopropyl acetate 66.35
    DMAc 363.46
    2-ethoxyethanol 69.73
    isopentanol 57.34
    n-heptane 1.06
    ethyl formate 89.07
    1,2-dichloroethane 278.09
    n-hexanol 45.62
    2-methoxyethanol 140.32
    isobutyl acetate 44.97
    tetrachloromethane 27.12
    n-pentyl acetate 57.01
    transcutol 163.27
    n-heptanol 28.84
    ethylbenzene 34.3
    MIBK 67.86
    2-propoxyethanol 99.28
    tert-butanol 49.07
    MTBE 34.67
    2-butoxyethanol 66.37
    propionic acid 83.54
    o-xylene 41.84
    formic acid 40.52
    diethyl ether 36.05
    m-xylene 41.8
    p-xylene 50.4
    chlorobenzene 184.34
    dimethyl carbonate 80.18
    n-octane 1.06
    formamide 92.99
    cyclopentanone 314.08
    2-pentanone 94.22
    anisole 76.88
    cyclopentyl methyl ether 73.74
    gamma-butyrolactone 319.81
    1-methoxy-2-propanol 104.0
    pyridine 286.86
    3-pentanone 76.03
    furfural 336.07
    n-dodecane 1.81
    diethylene glycol 95.21
    diisopropyl ether 11.64
    tert-amyl alcohol 44.46
    acetylacetone 143.6
    n-hexadecane 2.2
    acetophenone 105.96
    methyl propionate 94.81
    isopentyl acetate 81.66
    trichloroethylene 673.38
    n-nonanol 23.28
    cyclohexanol 66.32
    benzyl alcohol 93.73
    2-ethylhexanol 28.97
    isooctanol 26.61
    dipropyl ether 16.99
    1,2-dichlorobenzene 173.1
    ethyl lactate 50.13
    propylene carbonate 196.69
    n-methylformamide 170.02
    2-pentanol 32.31
    n-pentane 1.22
    1-propoxy-2-propanol 59.53
    1-methoxy-2-propyl acetate 84.48
    2-(2-methoxypropoxy) propanol 72.32
    mesitylene 24.14
    ε-caprolactone 192.22
    p-cymene 20.68
    epichlorohydrin 369.85
    1,1,1-trichloroethane 164.17
    2-aminoethanol 39.01
    morpholine-4-carbaldehyde 301.3
    sulfolane 294.66
    2,2,4-trimethylpentane 2.07
    2-methyltetrahydrofuran 127.47
    n-hexyl acetate 76.5
    isooctane 1.53
    2-(2-butoxyethoxy)ethanol 82.17
    sec-butyl acetate 44.27
    tert-butyl acetate 64.74
    decalin 4.88
    glycerin 50.35
    diglyme 149.66
    acrylic acid 105.4
    isopropyl myristate 31.0
    n-butyric acid 110.74
    acetyl acetate 75.4
    di(2-ethylhexyl) phthalate 48.15
    ethyl propionate 54.2
    nitromethane 217.4
    1,2-diethoxyethane 54.87
    benzonitrile 166.67
    trioctyl phosphate 31.64
    1-bromopropane 75.39
    gamma-valerolactone 360.55
    n-decanol 18.67
    triethyl phosphate 37.63
    4-methyl-2-pentanol 26.85
    propionitrile 81.74
    vinylene carbonate 216.52
    1,1,2-trichlorotrifluoroethane 223.44
    DMS 98.44
    cumene 23.65
    2-octanol 21.24
    2-hexanone 64.53
    octyl acetate 40.9
    limonene 24.49
    1,2-dimethoxyethane 133.18
    ethyl orthosilicate 32.83
    tributyl phosphate 38.71
    diacetone alcohol 92.2
    N,N-dimethylaniline 53.41
    acrylonitrile 158.05
    aniline 107.24
    1,3-propanediol 67.56
    bromobenzene 181.96
    dibromomethane 195.18
    1,1,2,2-tetrachloroethane 419.1
    2-methyl-cyclohexyl acetate 54.76
    tetrabutyl urea 54.58
    diisobutyl methanol 18.77
    2-phenylethanol 87.56
    styrene 49.28
    dioctyl adipate 48.05
    dimethyl sulfate 129.69
    ethyl butyrate 45.88
    methyl lactate 77.9
    butyl lactate 60.51
    diethyl carbonate 43.13
    propanediol butyl ether 54.79
    triethyl orthoformate 38.73
    p-tert-butyltoluene 18.71
    methyl 4-tert-butylbenzoate 77.95
    morpholine 181.31
    tert-butylamine 25.19
    n-dodecanol 15.61
    dimethoxymethane 144.36
    ethylene carbonate 161.03
    cyrene 104.02
    2-ethoxyethyl acetate 81.32
    2-ethylhexyl acetate 63.59
    1,2,4-trichlorobenzene 201.88
    4-methylpyridine 262.62
    dibutyl ether 22.92
    2,6-dimethyl-4-heptanol 18.77
    DEF 150.85
    dimethyl isosorbide 132.51
    tetrachloroethylene 238.65
    eugenol 92.55
    triacetin 79.6
    span 80 61.32
    1,4-butanediol 30.5
    1,1-dichloroethane 182.27
    2-methyl-1-pentanol 48.85
    methyl formate 134.03
    2-methyl-1-butanol 50.59
    n-decane 2.31
    butyronitrile 81.85
    3,7-dimethyl-1-octanol 29.04
    1-chlorooctane 17.41
    1-chlorotetradecane 8.99
    n-nonane 1.75
    undecane 2.02
    tert-butylcyclohexane 3.55
    cyclooctane 1.42
    cyclopentanol 76.67
    tetrahydropyran 112.8
    tert-amyl methyl ether 31.24
    2,5,8-trioxanonane 115.58
    1-hexene 10.2
    2-isopropoxyethanol 53.96
    2,2,2-trifluoroethanol 63.17
    methyl butyrate 83.96

    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