Butanedioic acid, diphenyl ester

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  • Identifiers

    CAS number
    621-14-7

    Molecular formula
    C16H14O4

    SMILES
    C1=CC=C(C=C1)OC(=O)CCC(=O)OC2=CC=CC=C2

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Balsamic 57.97%
    Honey 57.55%
    Floral 52.97%
    Phenolic 42.27%
    Green 36.95%
    Sweet 35.01%
    Rose 34.51%
    Animal 31.53%
    Fruity 30.26%
    Aromatic 28.72%

     

    Flavor
    Sweet 58.64%
    Balsam 44.02%
    Floral 39.8%
    Honey 38.87%
    Fruity 30.25%
    Mild 28.89%
    Faint 28.51%
    Odorless 28.48%
    Balsamic 27.6%
    Sour 26.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.06 (neutral)

    Molecular weight
    270.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 191.19 ˚C est.

  • Synonyms

    • Diphenyl succinate
    • Butanedioic acid, diphenyl ester
    • Succinic acid, diphenyl ester
    • 7FQX7J39BM
    • Butanedioic acid, 1,4-diphenyl ester
    • NSC-2623
    • DTXSID4060731
    • 1,4-DIPHENYL BUTANEDIOATE
    • RefChem:122064
    • DTXCID4043226
    • 633-095-8
    • YDPPRPIIZGLGCJ-UHFFFAOYSA-N
    • diphenyl butanedioate
    • 621-14-7
    • butanedioic acid diphenyl ester
    • NSC 2623
    • UNII-7FQX7J39BM
    • SCHEMBL43742
    • NSC2623
    • AKOS004908152
    • DB-319222
    • A833588
    • 621-14-7

  • Applications

    Butanedioic acid, diphenyl ester, is commonly used as an intermediate in the synthesis of specialty polyesters and resin systems. It also serves as a plasticizer and processing aid in polymer formulations, coatings, and adhesives to tailor flexibility and processability. As a building block for engineering plastics, it can be incorporated as a repeating unit in polyesters intended for industrial and electronics-related applications. In resin formulations for coatings, it can contribute to thermal stability and overall performance of the material, subject to formulation limits and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.17
    methanol 16.7
    isopropanol 6.73
    water 0.15
    ethyl acetate 152.55
    n-propanol 7.78
    acetone 248.25
    n-butanol 6.53
    acetonitrile 234.58
    DMF 433.4
    toluene 32.99
    isobutanol 6.0
    1,4-dioxane 178.75
    methyl acetate 252.4
    THF 370.14
    2-butanone 188.47
    n-pentanol 9.81
    sec-butanol 10.3
    n-hexane 2.23
    ethylene glycol 3.7
    NMP 368.2
    cyclohexane 1.71
    DMSO 811.43
    n-butyl acetate 105.73
    n-octanol 9.85
    chloroform 427.13
    n-propyl acetate 118.68
    acetic acid 78.07
    dichloromethane 677.16
    cyclohexanone 181.45
    propylene glycol 3.75
    isopropyl acetate 75.84
    DMAc 786.35
    2-ethoxyethanol 60.91
    isopentanol 7.74
    n-heptane 1.78
    ethyl formate 102.06
    1,2-dichloroethane 368.23
    n-hexanol 9.11
    2-methoxyethanol 69.15
    isobutyl acetate 49.43
    tetrachloromethane 17.05
    n-pentyl acetate 43.03
    transcutol 225.25
    n-heptanol 6.77
    ethylbenzene 36.48
    MIBK 42.55
    2-propoxyethanol 49.48
    tert-butanol 13.55
    MTBE 45.58
    2-butoxyethanol 29.88
    propionic acid 49.28
    o-xylene 28.98
    formic acid 29.72
    diethyl ether 44.59
    m-xylene 15.45
    p-xylene 53.41
    chlorobenzene 104.61
    dimethyl carbonate 123.31
    n-octane 1.23
    formamide 127.05
    cyclopentanone 361.62
    2-pentanone 79.78
    anisole 132.61
    cyclopentyl methyl ether 62.72
    gamma-butyrolactone 502.53
    1-methoxy-2-propanol 40.54
    pyridine 238.9
    3-pentanone 104.82
    furfural 396.01
    n-dodecane 1.48
    diethylene glycol 35.56
    diisopropyl ether 12.91
    tert-amyl alcohol 18.18
    acetylacetone 234.84
    n-hexadecane 1.78
    acetophenone 154.92
    methyl propionate 140.09
    isopentyl acetate 76.44
    trichloroethylene 708.02
    n-nonanol 10.68
    cyclohexanol 10.54
    benzyl alcohol 51.28
    2-ethylhexanol 12.65
    isooctanol 7.22
    dipropyl ether 36.11
    1,2-dichlorobenzene 125.62
    ethyl lactate 44.92
    propylene carbonate 203.12
    n-methylformamide 138.13
    2-pentanol 5.61
    n-pentane 0.62
    1-propoxy-2-propanol 38.36
    1-methoxy-2-propyl acetate 105.42
    2-(2-methoxypropoxy) propanol 69.77
    mesitylene 10.0
    ε-caprolactone 171.32
    p-cymene 18.39
    epichlorohydrin 533.03
    1,1,1-trichloroethane 178.73
    2-aminoethanol 7.1
    morpholine-4-carbaldehyde 319.0
    sulfolane 515.28
    2,2,4-trimethylpentane 1.35
    2-methyltetrahydrofuran 150.47
    n-hexyl acetate 61.04
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 63.98
    sec-butyl acetate 68.68
    tert-butyl acetate 73.28
    decalin 4.28
    glycerin 10.95
    diglyme 218.26
    acrylic acid 61.78
    isopropyl myristate 27.72
    n-butyric acid 44.18
    acetyl acetate 140.25
    di(2-ethylhexyl) phthalate 28.94
    ethyl propionate 124.18
    nitromethane 522.41
    1,2-diethoxyethane 108.71
    benzonitrile 112.76
    trioctyl phosphate 16.14
    1-bromopropane 80.76
    gamma-valerolactone 366.79
    n-decanol 8.78
    triethyl phosphate 61.69
    4-methyl-2-pentanol 4.94
    propionitrile 85.15
    vinylene carbonate 200.92
    1,1,2-trichlorotrifluoroethane 199.09
    DMS 137.35
    cumene 23.1
    2-octanol 6.1
    2-hexanone 88.02
    octyl acetate 33.68
    limonene 21.49
    1,2-dimethoxyethane 247.89
    ethyl orthosilicate 48.8
    tributyl phosphate 30.58
    diacetone alcohol 56.42
    N,N-dimethylaniline 76.94
    acrylonitrile 167.95
    aniline 38.53
    1,3-propanediol 12.17
    bromobenzene 118.12
    dibromomethane 306.08
    1,1,2,2-tetrachloroethane 437.95
    2-methyl-cyclohexyl acetate 64.3
    tetrabutyl urea 43.02
    diisobutyl methanol 10.19
    2-phenylethanol 39.56
    styrene 54.18
    dioctyl adipate 59.0
    dimethyl sulfate 272.09
    ethyl butyrate 101.99
    methyl lactate 53.06
    butyl lactate 33.1
    diethyl carbonate 90.83
    propanediol butyl ether 24.43
    triethyl orthoformate 67.42
    p-tert-butyltoluene 14.96
    methyl 4-tert-butylbenzoate 78.94
    morpholine 138.7
    tert-butylamine 7.05
    n-dodecanol 7.6
    dimethoxymethane 166.96
    ethylene carbonate 146.71
    cyrene 78.56
    2-ethoxyethyl acetate 90.86
    2-ethylhexyl acetate 66.64
    1,2,4-trichlorobenzene 152.07
    4-methylpyridine 180.4
    dibutyl ether 38.74
    2,6-dimethyl-4-heptanol 10.19
    DEF 163.81
    dimethyl isosorbide 158.18
    tetrachloroethylene 205.3
    eugenol 67.17
    triacetin 123.62
    span 80 38.34
    1,4-butanediol 7.67
    1,1-dichloroethane 188.6
    2-methyl-1-pentanol 13.56
    methyl formate 153.86
    2-methyl-1-butanol 8.86
    n-decane 2.28
    butyronitrile 50.42
    3,7-dimethyl-1-octanol 13.11
    1-chlorooctane 13.66
    1-chlorotetradecane 6.58
    n-nonane 1.95
    undecane 1.75
    tert-butylcyclohexane 3.21
    cyclooctane 0.65
    cyclopentanol 17.96
    tetrahydropyran 80.36
    tert-amyl methyl ether 45.02
    2,5,8-trioxanonane 152.81
    1-hexene 13.08
    2-isopropoxyethanol 42.96
    2,2,2-trifluoroethanol 53.32
    methyl butyrate 158.02

    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