2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]ethyl acetate

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  • Identifiers

    CAS number
    250296-64-1

    Molecular formula
    C18H15NO4

    SMILES
    CC(=O)OCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 63.09%
    Grape 50.18%
    Fruity 45.04%
    Neroli 41.97%
    Sweet 41.42%
    Honey 35.12%
    Powdery 33.89%
    Orange 31.53%
    Odorless 30.09%
    Balsamic 29.84%

     

    Flavor
    Bitter 77.37%
    Floral 26.42%
    Wintergreen 26.17%
    Odorless 26.01%
    Balsam 25.37%
    Sweet 23.93%
    Fruity 23.53%
    Powdery 22.04%
    Honey 21.65%
    Orange blossom 21.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.35 (neutral)

    Molecular weight
    309.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    448°C

    Flash point

    • 213.53 ˚C est.

  • Synonyms

    • 250296-64-1
    • 2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]ethyl acetate
    • 4-(1,3-dioxoisoindolin-2-yl)phenethyl acetate
    • 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate
    • 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]ethyl acetate
    • Oprea1_606601
    • STK371906
    • AKOS003624798
    • SR-01000009411
    • SR-01000009411-1
    • Z56938119
    • F0827-0295

  • Applications

    Chemical name: 2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]ethyl acetate; CAS number: 250296-64-1. The compound is primarily used as an organic synthesis intermediate. The phthalimide/isoindolinone motif provides a masked-amino-type handle, and the ester moiety offers a handle for further derivatization, enabling formation of amide, ester, or imide linkages to access more complex small molecules. It can serve as a building block in the preparation of imide-containing polymers (for example polyimides or related resins), combining rigid aromatic content with potential thermal stability. It may also function as a precursor for specialty dyes or pigment formulations that incorporate the isoindoline-1,3-dione fragment. In coatings, inks, and adhesives, the compound can act as a functional intermediate or a linking point to promote crosslinking or improve compatibility between formulation components. Overall, its use is anticipated in pharmaceutical and fine-chemical synthesis workflows, subject to applicable regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.05
    methanol 1.57
    isopropanol 0.72
    water 0.01
    ethyl acetate 4.53
    n-propanol 0.93
    acetone 9.05
    n-butanol 0.87
    acetonitrile 9.17
    DMF 41.39
    toluene 2.09
    isobutanol 0.78
    1,4-dioxane 21.23
    methyl acetate 10.87
    THF 32.49
    2-butanone 13.07
    n-pentanol 1.08
    sec-butanol 0.87
    n-hexane 0.01
    ethylene glycol 0.81
    NMP 42.58
    cyclohexane 0.05
    DMSO 38.21
    n-butyl acetate 5.69
    n-octanol 0.56
    chloroform 36.74
    n-propyl acetate 5.6
    acetic acid 8.76
    dichloromethane 34.06
    cyclohexanone 23.99
    propylene glycol 0.98
    isopropyl acetate 3.3
    DMAc 117.72
    2-ethoxyethanol 9.72
    isopentanol 1.45
    n-heptane 0.01
    ethyl formate 4.42
    1,2-dichloroethane 16.12
    n-hexanol 0.83
    2-methoxyethanol 12.62
    isobutyl acetate 3.95
    tetrachloromethane 0.85
    n-pentyl acetate 2.41
    transcutol 29.19
    n-heptanol 0.77
    ethylbenzene 1.49
    MIBK 4.08
    2-propoxyethanol 11.56
    tert-butanol 1.34
    MTBE 1.0
    2-butoxyethanol 6.1
    propionic acid 4.11
    o-xylene 1.46
    formic acid 4.89
    diethyl ether 0.72
    m-xylene 0.95
    p-xylene 2.67
    chlorobenzene 7.01
    dimethyl carbonate 8.91
    n-octane 0.01
    formamide 12.58
    cyclopentanone 29.29
    2-pentanone 4.7
    anisole 8.99
    cyclopentyl methyl ether 3.23
    gamma-butyrolactone 30.45
    1-methoxy-2-propanol 7.76
    pyridine 32.53
    3-pentanone 5.32
    furfural 35.68
    n-dodecane 0.04
    diethylene glycol 10.88
    diisopropyl ether 0.25
    tert-amyl alcohol 1.47
    acetylacetone 14.28
    n-hexadecane 0.05
    acetophenone 13.21
    methyl propionate 6.52
    isopentyl acetate 6.4
    trichloroethylene 51.41
    n-nonanol 0.76
    cyclohexanol 1.71
    benzyl alcohol 7.9
    2-ethylhexanol 1.0
    isooctanol 0.91
    dipropyl ether 1.12
    1,2-dichlorobenzene 7.6
    ethyl lactate 6.08
    propylene carbonate 13.45
    n-methylformamide 10.24
    2-pentanol 0.47
    n-pentane 0.01
    1-propoxy-2-propanol 6.47
    1-methoxy-2-propyl acetate 12.08
    2-(2-methoxypropoxy) propanol 13.69
    mesitylene 0.55
    ε-caprolactone 16.23
    p-cymene 1.1
    epichlorohydrin 47.82
    1,1,1-trichloroethane 7.3
    2-aminoethanol 1.48
    morpholine-4-carbaldehyde 43.44
    sulfolane 41.74
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 8.9
    n-hexyl acetate 3.07
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 11.8
    sec-butyl acetate 3.92
    tert-butyl acetate 4.4
    decalin 0.09
    glycerin 4.04
    diglyme 30.47
    acrylic acid 6.2
    isopropyl myristate 2.31
    n-butyric acid 4.84
    acetyl acetate 5.74
    di(2-ethylhexyl) phthalate 4.89
    ethyl propionate 5.65
    nitromethane 33.95
    1,2-diethoxyethane 6.8
    benzonitrile 12.2
    trioctyl phosphate 2.12
    1-bromopropane 2.64
    gamma-valerolactone 48.78
    n-decanol 0.66
    triethyl phosphate 5.81
    4-methyl-2-pentanol 0.62
    propionitrile 6.15
    vinylene carbonate 15.24
    1,1,2-trichlorotrifluoroethane 30.8
    DMS 9.61
    cumene 1.05
    2-octanol 0.45
    2-hexanone 7.15
    octyl acetate 2.61
    limonene 1.08
    1,2-dimethoxyethane 25.44
    ethyl orthosilicate 4.62
    tributyl phosphate 3.42
    diacetone alcohol 8.37
    N,N-dimethylaniline 5.39
    acrylonitrile 13.75
    aniline 5.91
    1,3-propanediol 2.97
    bromobenzene 6.74
    dibromomethane 12.08
    1,1,2,2-tetrachloroethane 34.44
    2-methyl-cyclohexyl acetate 7.35
    tetrabutyl urea 6.13
    diisobutyl methanol 0.87
    2-phenylethanol 7.23
    styrene 2.39
    dioctyl adipate 6.0
    dimethyl sulfate 19.97
    ethyl butyrate 5.53
    methyl lactate 7.84
    butyl lactate 4.37
    diethyl carbonate 5.54
    propanediol butyl ether 3.86
    triethyl orthoformate 5.76
    p-tert-butyltoluene 0.86
    methyl 4-tert-butylbenzoate 9.2
    morpholine 20.31
    tert-butylamine 0.44
    n-dodecanol 0.59
    dimethoxymethane 14.57
    ethylene carbonate 11.75
    cyrene 17.62
    2-ethoxyethyl acetate 6.63
    2-ethylhexyl acetate 4.93
    1,2,4-trichlorobenzene 12.54
    4-methylpyridine 18.16
    dibutyl ether 1.45
    2,6-dimethyl-4-heptanol 0.87
    DEF 11.18
    dimethyl isosorbide 26.98
    tetrachloroethylene 13.24
    eugenol 11.72
    triacetin 9.11
    span 80 6.93
    1,4-butanediol 1.47
    1,1-dichloroethane 7.88
    2-methyl-1-pentanol 1.83
    methyl formate 9.31
    2-methyl-1-butanol 1.17
    n-decane 0.05
    butyronitrile 3.98
    3,7-dimethyl-1-octanol 1.07
    1-chlorooctane 0.44
    1-chlorotetradecane 0.29
    n-nonane 0.03
    undecane 0.04
    tert-butylcyclohexane 0.06
    cyclooctane 0.01
    cyclopentanol 2.2
    tetrahydropyran 6.72
    tert-amyl methyl ether 1.24
    2,5,8-trioxanonane 26.03
    1-hexene 0.18
    2-isopropoxyethanol 6.13
    2,2,2-trifluoroethanol 5.06
    methyl butyrate 8.08

    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