Diallyl phthalate

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  • Identifiers

    CAS number
    131-17-9

    Molecular formula
    C14H14O4

    SMILES
    C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 77.84%
    Sweet 41.19%
    Winey 35.77%
    Grape 34.39%
    Floral 33.57%
    Pineapple 32.96%
    Green 32.42%
    Herbal 31.38%
    Balsamic 28.15%
    Ethereal 27.89%

     

    Flavor
    Fruity 43.31%
    Odorless 26.49%
    Grape 25.46%
    Very mild 22.93%
    Strawberry 22.9%
    Bitter 21.76%
    Orange flower 20.84%
    Aniseed 20.47%
    Ethyl benzoate 20.37%
    Seedy 20.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.28 (neutral)

    Molecular weight
    246.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -94 °F (NTP, 1992)
    • freezing point: -70 °C
    • -70 °C

    Boiling point

    • 554 °F at 760 mmHg (NTP, 1992)
    • 158-165 °C at 4 mm Hg
    • 290 °C

    Flash point

    • 164.01 ˚C est.
    • 230 °F (NTP, 1992)
    • 166 °C
    • 330 °F (166 °C) (Closed cup)
    • 166 °C c.c.

    Solubility expt.

    • less than 0.1 mg/mL at 72 °F (NTP, 1992)
    • Sol in gasoline, mineral oil, glycerin, certain amines. Sol in most org liquids.
    • In water, 182 mg/L at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.015 (very poor)

  • Synonyms

    • DIALLYL PHTHALATE
    • 131-17-9
    • Allyl phthalate
    • Diallylphthalate
    • Dapon 35
    • Dapon R
    • Phthalic acid, diallyl ester
    • 1,2-Benzenedicarboxylic acid, di-2-propenyl ester
    • Phthalic Acid Diallyl Ester
    • o-Phthalic acid, diallyl ester
    • 1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester
    • NCI-C50657
    • Diallylester kyseliny ftalove
    • NSC 7667
    • CCRIS 1361
    • Di-2-propenyl 1,2-benzenedicarboxylate
    • HSDB 4169
    • Diallylester phthalic acid
    • DAP monomer
    • UNII-F79L0UL6ST
    • bis(prop-2-enyl) benzene-1,2-dicarboxylate
    • EINECS 205-016-3
    • F79L0UL6ST
    • Diallylester kyseliny ftalove [Czech]
    • BRN 1880877
    • phthalic acid, bis-allyl ester
    • DTXSID7020392
    • AI3-02574
    • NSC-7667
    • 143318-73-4
    • Diallyl ester o-phthalic acid
    • DTXCID70392
    • Diallyl ester of phthalic acid
    • RX 1-501N (Salt/Mix)
    • DIALLYL PHTHALATE [HSDB]
    • EC 205-016-3
    • DIPROP-2-ENYL BENZENE-1,2-DICARBOXYLATE
    • RX 3-1-530 (Salt/Mix)
    • 4-09-00-03188 (Beilstein Handbook Reference)
    • Nonflammable decobest DA (Salt/Mix)
    • 1,2-bis(prop-2-en-1-yl) benzene-1,2-dicarboxylate
    • Diallylester Kyseliny Ftalove (Czech)
    • 205-016-3
    • CAS-131-17-9
    • MFCD00008646
    • o-phthalic acid diallyl ester
    • di-allyl phthalate
    • DAPPU
    • Diallyl phthalic acid
    • DAP-M
    • Nonflammable decobest DA
    • Diallyl phthalate, 97%
    • SCHEMBL15174
    • MLS002415725
    • oPhthalic acid, diallyl ester
    • WLN: 1U2OVR BVO2U1
    • CHEMBL1329372
    • NSC7667
    • HMS2267F17
    • Di2propenyl 1,2benzenedicarboxylate
    • Tox21_201961
    • Tox21_300135
    • DT 170
    • Phthalic acid, diallyl ester (8CI)
    • Diallyl phthalate, analytical standard
    • AKOS015891274
    • NCGC00091365-01
    • NCGC00091365-02
    • NCGC00091365-03
    • NCGC00091365-04
    • NCGC00254197-01
    • NCGC00259510-01
    • BS-14891
    • SMR001253767
    • NS00011513
    • P0290
    • 1,2Benzenedicarboxylic acid, di2propenyl ester
    • F87052
    • Q2161731
    • 1,2-Benzenedicarboxylic acid 1,2-di-2-propen-1-yl ester
    • Diallyl ortho-phthalate;1,2Benzenedicarboxylic acid di-2-propenyl ester;Phthalic acid,bis-allyl ester;Phthalic acid diallyl ester;

  • Applications

    Diallyl phthalate (CAS 131-17-9) is the diester of phthalic acid with two allyl groups, enabling network formation during radical polymerization. In industry, it is commonly used as a crosslinking monomer in polymer systems and coatings: as a crosslinking agent for epoxy resins and unsaturated polyester resins, as well as in UV-curable coatings and inks; it serves as a reactive intermediate in adhesive formulations and specialty polymers, and is used in electrical insulation resins for electronics (potting compounds).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.66
    methanol 42.8
    isopropanol 22.97
    water 0.05
    ethyl acetate 334.29
    n-propanol 33.54
    acetone 322.14
    n-butanol 34.17
    acetonitrile 284.1
    DMF 586.99
    toluene 351.03
    isobutanol 27.66
    1,4-dioxane 233.06
    methyl acetate 368.41
    THF 456.84
    2-butanone 404.98
    n-pentanol 34.38
    sec-butanol 42.07
    n-hexane 8.99
    ethylene glycol 4.63
    NMP 687.67
    cyclohexane 18.69
    DMSO 296.03
    n-butyl acetate 190.02
    n-octanol 22.13
    chloroform 673.32
    n-propyl acetate 170.65
    acetic acid 89.11
    dichloromethane 911.07
    cyclohexanone 504.37
    propylene glycol 6.3
    isopropyl acetate 181.54
    DMAc 893.71
    2-ethoxyethanol 86.31
    isopentanol 44.85
    n-heptane 5.3
    ethyl formate 128.76
    1,2-dichloroethane 700.59
    n-hexanol 38.71
    2-methoxyethanol 119.72
    isobutyl acetate 83.65
    tetrachloromethane 47.44
    n-pentyl acetate 82.66
    transcutol 227.26
    n-heptanol 21.47
    ethylbenzene 133.57
    MIBK 143.47
    2-propoxyethanol 97.15
    tert-butanol 46.96
    MTBE 136.98
    2-butoxyethanol 59.81
    propionic acid 74.9
    o-xylene 152.53
    formic acid 26.95
    diethyl ether 162.32
    m-xylene 140.25
    p-xylene 152.66
    chlorobenzene 329.74
    dimethyl carbonate 155.17
    n-octane 3.76
    formamide 97.21
    cyclopentanone 609.17
    2-pentanone 271.52
    anisole 230.03
    cyclopentyl methyl ether 242.71
    gamma-butyrolactone 610.19
    1-methoxy-2-propanol 91.12
    pyridine 565.5
    3-pentanone 296.44
    furfural 450.84
    n-dodecane 3.42
    diethylene glycol 48.62
    diisopropyl ether 46.98
    tert-amyl alcohol 70.1
    acetylacetone 347.79
    n-hexadecane 4.14
    acetophenone 248.46
    methyl propionate 313.69
    isopentyl acetate 163.88
    trichloroethylene 1253.98
    n-nonanol 22.91
    cyclohexanol 67.55
    benzyl alcohol 124.31
    2-ethylhexanol 39.73
    isooctanol 21.55
    dipropyl ether 62.17
    1,2-dichlorobenzene 275.02
    ethyl lactate 52.81
    propylene carbonate 278.57
    n-methylformamide 167.34
    2-pentanol 32.77
    n-pentane 6.39
    1-propoxy-2-propanol 67.13
    1-methoxy-2-propyl acetate 158.83
    2-(2-methoxypropoxy) propanol 79.73
    mesitylene 64.07
    ε-caprolactone 359.14
    p-cymene 47.53
    epichlorohydrin 756.93
    1,1,1-trichloroethane 448.39
    2-aminoethanol 13.77
    morpholine-4-carbaldehyde 354.74
    sulfolane 530.34
    2,2,4-trimethylpentane 7.41
    2-methyltetrahydrofuran 360.5
    n-hexyl acetate 102.76
    isooctane 3.77
    2-(2-butoxyethoxy)ethanol 85.66
    sec-butyl acetate 128.65
    tert-butyl acetate 171.04
    decalin 18.66
    glycerin 13.72
    diglyme 215.54
    acrylic acid 76.68
    isopropyl myristate 41.65
    n-butyric acid 109.06
    acetyl acetate 208.6
    di(2-ethylhexyl) phthalate 41.28
    ethyl propionate 175.08
    nitromethane 397.93
    1,2-diethoxyethane 130.8
    benzonitrile 208.61
    trioctyl phosphate 25.07
    1-bromopropane 270.35
    gamma-valerolactone 514.09
    n-decanol 17.57
    triethyl phosphate 63.91
    4-methyl-2-pentanol 26.19
    propionitrile 178.46
    vinylene carbonate 233.65
    1,1,2-trichlorotrifluoroethane 250.53
    DMS 153.52
    cumene 65.5
    2-octanol 17.75
    2-hexanone 158.51
    octyl acetate 52.18
    limonene 64.59
    1,2-dimethoxyethane 243.27
    ethyl orthosilicate 56.39
    tributyl phosphate 37.12
    diacetone alcohol 138.82
    N,N-dimethylaniline 138.6
    acrylonitrile 267.86
    aniline 193.8
    1,3-propanediol 26.54
    bromobenzene 401.13
    dibromomethane 535.81
    1,1,2,2-tetrachloroethane 833.66
    2-methyl-cyclohexyl acetate 95.55
    tetrabutyl urea 55.3
    diisobutyl methanol 28.17
    2-phenylethanol 104.44
    styrene 183.37
    dioctyl adipate 64.85
    dimethyl sulfate 239.16
    ethyl butyrate 129.74
    methyl lactate 72.6
    butyl lactate 49.52
    diethyl carbonate 93.8
    propanediol butyl ether 34.38
    triethyl orthoformate 75.97
    p-tert-butyltoluene 43.06
    methyl 4-tert-butylbenzoate 110.2
    morpholine 275.02
    tert-butylamine 29.59
    n-dodecanol 13.97
    dimethoxymethane 261.85
    ethylene carbonate 184.52
    cyrene 103.94
    2-ethoxyethyl acetate 128.35
    2-ethylhexyl acetate 136.08
    1,2,4-trichlorobenzene 337.73
    4-methylpyridine 585.38
    dibutyl ether 52.94
    2,6-dimethyl-4-heptanol 28.17
    DEF 400.18
    dimethyl isosorbide 184.87
    tetrachloroethylene 450.67
    eugenol 92.59
    triacetin 107.44
    span 80 48.6
    1,4-butanediol 11.96
    1,1-dichloroethane 482.4
    2-methyl-1-pentanol 50.41
    methyl formate 147.75
    2-methyl-1-butanol 45.11
    n-decane 5.16
    butyronitrile 142.94
    3,7-dimethyl-1-octanol 29.96
    1-chlorooctane 29.76
    1-chlorotetradecane 13.66
    n-nonane 4.57
    undecane 4.05
    tert-butylcyclohexane 13.07
    cyclooctane 6.73
    cyclopentanol 68.97
    tetrahydropyran 247.33
    tert-amyl methyl ether 148.1
    2,5,8-trioxanonane 147.07
    1-hexene 48.93
    2-isopropoxyethanol 66.45
    2,2,2-trifluoroethanol 46.22
    methyl butyrate 223.75

    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