Dibenzyl phthalate

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  • Identifiers

    CAS number
    523-31-9

    Molecular formula
    C22H18O4

    SMILES
    C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 75.5%
    Herbal 55.84%
    Green 47.87%
    Floral 47.08%
    Sweet 40.55%
    Fruity 40.14%
    Rose 31.46%
    Metallic 31.13%
    Spicy 30.51%
    Oily 30.37%

     

    Flavor
    Balsam 68.35%
    Sweet 54.63%
    Herbal 50.6%
    Strawberry 39.01%
    Fruity 38.67%
    Apricot 38.4%
    Balsamic 38.36%
    Oily 37.01%
    Bitter 36.63%
    Floral 36.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    5.37 (weak acid)

    Molecular weight
    346.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    488°C

    Flash point

    • 219.0 ˚C est.

  • Synonyms

    • DIBENZYL PHTHALATE
    • 523-31-9
    • Benzyl phthalate
    • 1,2-Benzenedicarboxylic acid, bis(phenylmethyl) ester
    • AI3-00364
    • EINECS 208-344-5
    • DTXSID80870581
    • NSC 4057
    • RefChem:586446
    • DTXCID30818291
    • 208-344-5
    • dibenzyl benzene-1,2-dicarboxylate
    • Phthalic acid, dibenzyl ester
    • MFCD00014437
    • Phthalic acid, bis-benzyl ester
    • NSC-4057
    • Phthalic acid, bis-benzyl ester 100 microg/mL in Acetonitrile
    • 1,2-dibenzyl benzene-1,2-dicarboxylate
    • BIS-BENZYL ESTER
    • 1, bis(phenylmethyl) ester
    • SCHEMBL50441
    • Pthalic acid, bis-benzyl ester
    • orb1705727
    • SCHEMBL29388715
    • MSK1133
    • NSC4057
    • AKOS024437919
    • 3W56974NS9
    • Dibenzyl phthalate, analytical standard
    • AS-57076
    • phenylmethyl 2-[benzyloxycarbonyl]benzoate
    • SY101118
    • DB-052112
    • HY-121451
    • CS-0082070
    • NS00020092
    • ST50407899
    • D82033
    • Dibenzyl ester of 1,2-benzenedicarboxylic acid
    • 1,2-BENZENEDICARBOXYLIC ACID DIBENZYL ESTER
    • Q63399813
    • 1,2-Benzenedicarboxylic acid, 1,2-bis(phenylmethyl) ester
    • 1,2-Benzenedicarboxylic Acid, 1,2-Bis(phenylmethyl) Ester?1,2-Benzenedicarboxylic Acid, Bis(phenylmethyl) Ester (9CI), Phthalic Acid, Dibenzyl Ester (6CI,7CI,8CI), Benzyl Phthalate, NSC 4057
    • 523-31-9

  • Applications

    Dibenzyl phthalate (CAS 523-31-9) is primarily used as a plasticizer for polymers such as PVC and other flexible plastics, enabling improved film softness and processing in coatings, films, and adhesives. It is also employed as a processing aid and solvent for cellulose derivatives and certain specialty polymers, helping formulate coatings and ink systems. In perfumery and cosmetics contexts, it may function as a fragrance solvent or fixative in some formulations and packaging materials. It can serve as a chemical intermediate or niche plasticizer in polymer syntheses and additive packages, particularly where phthalate-based softening agents are desired. Note that use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.25
    methanol 8.44
    isopropanol 3.99
    water 0.07
    ethyl acetate 68.11
    n-propanol 6.85
    acetone 63.2
    n-butanol 5.46
    acetonitrile 44.2
    DMF 137.55
    toluene 43.52
    isobutanol 3.86
    1,4-dioxane 59.61
    methyl acetate 87.11
    THF 206.21
    2-butanone 77.98
    n-pentanol 5.85
    sec-butanol 6.61
    n-hexane 1.34
    ethylene glycol 1.54
    NMP 92.25
    cyclohexane 1.62
    DMSO 78.49
    n-butyl acetate 26.87
    n-octanol 3.91
    chloroform 292.33
    n-propyl acetate 30.2
    acetic acid 30.88
    dichloromethane 389.23
    cyclohexanone 77.12
    propylene glycol 1.96
    isopropyl acetate 41.25
    DMAc 301.69
    2-ethoxyethanol 21.5
    isopentanol 5.97
    n-heptane 1.65
    ethyl formate 26.34
    1,2-dichloroethane 235.83
    n-hexanol 6.05
    2-methoxyethanol 26.81
    isobutyl acetate 16.44
    tetrachloromethane 11.36
    n-pentyl acetate 19.12
    transcutol 81.21
    n-heptanol 4.94
    ethylbenzene 24.21
    MIBK 29.59
    2-propoxyethanol 22.99
    tert-butanol 7.28
    MTBE 19.91
    2-butoxyethanol 16.66
    propionic acid 19.86
    o-xylene 25.71
    formic acid 10.42
    diethyl ether 30.26
    m-xylene 19.9
    p-xylene 24.5
    chlorobenzene 62.79
    dimethyl carbonate 67.65
    n-octane 1.07
    formamide 45.08
    cyclopentanone 150.88
    2-pentanone 48.56
    anisole 59.17
    cyclopentyl methyl ether 48.74
    gamma-butyrolactone 180.82
    1-methoxy-2-propanol 20.61
    pyridine 122.54
    3-pentanone 63.89
    furfural 116.84
    n-dodecane 0.86
    diethylene glycol 12.52
    diisopropyl ether 8.91
    tert-amyl alcohol 9.58
    acetylacetone 107.86
    n-hexadecane 1.03
    acetophenone 60.35
    methyl propionate 73.02
    isopentyl acetate 27.61
    trichloroethylene 498.52
    n-nonanol 4.93
    cyclohexanol 7.43
    benzyl alcohol 23.25
    2-ethylhexanol 6.86
    isooctanol 4.85
    dipropyl ether 19.67
    1,2-dichlorobenzene 73.09
    ethyl lactate 14.72
    propylene carbonate 67.02
    n-methylformamide 44.64
    2-pentanol 5.14
    n-pentane 0.85
    1-propoxy-2-propanol 16.69
    1-methoxy-2-propyl acetate 49.73
    2-(2-methoxypropoxy) propanol 26.96
    mesitylene 11.3
    ε-caprolactone 64.79
    p-cymene 10.5
    epichlorohydrin 298.7
    1,1,1-trichloroethane 117.84
    2-aminoethanol 3.81
    morpholine-4-carbaldehyde 82.22
    sulfolane 133.93
    2,2,4-trimethylpentane 1.27
    2-methyltetrahydrofuran 69.0
    n-hexyl acetate 20.15
    isooctane 0.71
    2-(2-butoxyethoxy)ethanol 29.44
    sec-butyl acetate 26.35
    tert-butyl acetate 45.42
    decalin 2.58
    glycerin 4.8
    diglyme 90.14
    acrylic acid 24.29
    isopropyl myristate 10.85
    n-butyric acid 23.72
    acetyl acetate 64.74
    di(2-ethylhexyl) phthalate 10.09
    ethyl propionate 40.45
    nitromethane 158.1
    1,2-diethoxyethane 45.42
    benzonitrile 35.44
    trioctyl phosphate 5.5
    1-bromopropane 58.51
    gamma-valerolactone 140.4
    n-decanol 3.91
    triethyl phosphate 20.21
    4-methyl-2-pentanol 4.82
    propionitrile 33.45
    vinylene carbonate 68.78
    1,1,2-trichlorotrifluoroethane 80.31
    DMS 46.96
    cumene 13.17
    2-octanol 3.49
    2-hexanone 28.67
    octyl acetate 11.55
    limonene 11.92
    1,2-dimethoxyethane 69.67
    ethyl orthosilicate 18.38
    tributyl phosphate 9.01
    diacetone alcohol 34.49
    N,N-dimethylaniline 35.97
    acrylonitrile 62.81
    aniline 30.22
    1,3-propanediol 6.34
    bromobenzene 78.07
    dibromomethane 176.59
    1,1,2,2-tetrachloroethane 297.73
    2-methyl-cyclohexyl acetate 23.67
    tetrabutyl urea 14.2
    diisobutyl methanol 6.86
    2-phenylethanol 19.22
    styrene 31.64
    dioctyl adipate 19.11
    dimethyl sulfate 105.35
    ethyl butyrate 29.14
    methyl lactate 23.57
    butyl lactate 13.41
    diethyl carbonate 23.44
    propanediol butyl ether 8.43
    triethyl orthoformate 22.52
    p-tert-butyltoluene 9.61
    methyl 4-tert-butylbenzoate 36.56
    morpholine 57.23
    tert-butylamine 4.27
    n-dodecanol 3.35
    dimethoxymethane 95.11
    ethylene carbonate 47.96
    cyrene 29.63
    2-ethoxyethyl acetate 38.98
    2-ethylhexyl acetate 21.56
    1,2,4-trichlorobenzene 81.92
    4-methylpyridine 80.56
    dibutyl ether 14.63
    2,6-dimethyl-4-heptanol 6.86
    DEF 79.8
    dimethyl isosorbide 79.64
    tetrachloroethylene 154.02
    eugenol 28.86
    triacetin 36.5
    span 80 14.74
    1,4-butanediol 2.81
    1,1-dichloroethane 121.4
    2-methyl-1-pentanol 8.37
    methyl formate 42.26
    2-methyl-1-butanol 6.2
    n-decane 1.37
    butyronitrile 19.99
    3,7-dimethyl-1-octanol 6.31
    1-chlorooctane 6.59
    1-chlorotetradecane 3.05
    n-nonane 1.17
    undecane 1.04
    tert-butylcyclohexane 2.06
    cyclooctane 0.94
    cyclopentanol 11.03
    tetrahydropyran 46.35
    tert-amyl methyl ether 24.34
    2,5,8-trioxanonane 64.19
    1-hexene 6.81
    2-isopropoxyethanol 15.65
    2,2,2-trifluoroethanol 19.12
    methyl butyrate 41.52

    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