Diphenyl carbonate

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  • Identifiers

    CAS number
    102-09-0

    Molecular formula
    C13H10O3

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 74.46%
    Green 65.43%
    Balsamic 59.84%
    Rose 48.55%
    Phenolic 47.49%
    Metallic 44.84%
    Honey 37.26%
    Herbal 34.65%
    Geranium 32.61%
    Fruity 30.68%

     

    Flavor
    Sweet 63.51%
    Balsam 51.17%
    Floral 43.8%
    Honey 43.26%
    Herbal 33.91%
    Balsamic 31.76%
    Rose 31.15%
    Phenolic 28.96%
    Green 27.6%
    Waxy 25.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.54 (neutral)

    Molecular weight
    214.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 80-81 °C

    Boiling point

    • 302-306 °C

    Flash point

    • 143.84 ˚C est.

    Solubility expt.

    • Practically insol in water; sol in hot alc, benzene, ether, glacial acetic acid
    • SOL IN ACETONE, CARBON TETRACHLORIDE, OTHER ORG SOLVENTS

  • Synonyms

    • DIPHENYL CARBONATE
    • 102-09-0
    • Carbonic acid, diphenyl ester
    • Phenyl carbonate
    • Carbonic Acid Diphenyl Ester
    • Phenyl carbonate ((PhO)2CO)
    • Ph2CO3
    • HSDB 5346
    • (PhO)2CO
    • YWV401IDYN
    • EINECS 203-005-8
    • NSC 37087
    • BRN 1074863
    • AI3-00063
    • NSC-37087
    • DIPHENYL CARBONATE [MI]
    • CHEBI:34722
    • DIPHENYL CARBONATE [HSDB]
    • EC 203-005-8
    • PHENYL CARBONATE [(PHO)2CO]
    • RefChem:588818
    • 203-005-8
    • InChI=1/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10
    • Diphenylcarbonate
    • MFCD00003037
    • DTXSID3020540
    • NSC 37087; Phenyl carbonate
    • phenyl phenoxyformate
    • UNII-YWV401IDYN
    • phenoxy ketone
    • Phenol carbonate
    • diphenyl-carbonate
    • Diphenyl carbonate; NSC 37087; Phenyl carbonate; Phenyl carbonate ((PhO)2CO); Diphenyl Carbonate
    • WLN: ROVOR
    • Cambridge id 6944698
    • SCHEMBL18073
    • BIDD:ER0260
    • DTXCID30540
    • orb3022802
    • orb3025636
    • SCHEMBL6969776
    • SCHEMBL8942872
    • SCHEMBL8942876
    • CHEMBL3188080
    • NSC37087
    • Tox21_200150
    • SBB058524
    • STL185617
    • AKOS002275760
    • MSK000035-100B
    • NCGC00248543-01
    • NCGC00257704-01
    • BS-14177
    • CAS-102-09-0
    • Diphenyl carbonate, ReagentPlus(R), 99%
    • DB-254534
    • NS00005944
    • ST50188195
    • EN300-36556
    • Diphenyl carbonate 100 microg/mL in Acetonitrile
    • Diphenyl carbonate Solution in Acetone, 100ug/mL
    • Diphenyl carbonate, Vetec(TM) reagent grade, 98%
    • F214624
    • Q413098
    • SR-01000246916
    • SR-01000246916-1
    • Z28228668
    • F3096-1220
    • 102-09-0

  • Applications

    Diphenyl carbonate (CAS 102-09-0) is primarily used as a carbonate source in the production of Bisphenol A–based polycarbonate resins via transesterification, enabling a phosgene-free route for high-performance plastics used in electronics, automotive, and packaging. It also serves as a key intermediate for synthesizing other carbonate-containing polymers and specialty copolymers, broadening applications in coatings, adhesives, and electrical insulation. As a high-boiling solvent and reaction medium, diphenyl carbonate is employed in various high-temperature industrial syntheses. It can also be used as an intermediate to prepare carbonate esters and carbonate-based materials for coatings and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 62.83
    methanol 79.14
    isopropanol 36.8
    water 0.04
    ethyl acetate 234.31
    n-propanol 49.4
    acetone 442.04
    n-butanol 40.08
    acetonitrile 240.82
    DMF 1535.65
    toluene 87.08
    isobutanol 32.3
    1,4-dioxane 353.61
    methyl acetate 285.9
    THF 828.72
    2-butanone 351.98
    n-pentanol 31.46
    sec-butanol 36.47
    n-hexane 6.73
    ethylene glycol 11.1
    NMP 797.37
    cyclohexane 13.53
    DMSO 813.62
    n-butyl acetate 151.25
    n-octanol 29.84
    chloroform 515.88
    n-propyl acetate 119.99
    acetic acid 131.08
    dichloromethane 572.65
    cyclohexanone 449.91
    propylene glycol 16.42
    isopropyl acetate 116.93
    DMAc 1019.03
    2-ethoxyethanol 79.09
    isopentanol 38.36
    n-heptane 6.32
    ethyl formate 129.77
    1,2-dichloroethane 549.98
    n-hexanol 41.62
    2-methoxyethanol 226.62
    isobutyl acetate 67.46
    tetrachloromethane 15.48
    n-pentyl acetate 75.32
    transcutol 388.31
    n-heptanol 23.53
    ethylbenzene 49.86
    MIBK 107.89
    2-propoxyethanol 120.7
    tert-butanol 51.56
    MTBE 90.51
    2-butoxyethanol 63.55
    propionic acid 89.05
    o-xylene 47.08
    formic acid 31.62
    diethyl ether 128.0
    m-xylene 41.89
    p-xylene 62.21
    chlorobenzene 207.89
    dimethyl carbonate 159.89
    n-octane 4.18
    formamide 127.26
    cyclopentanone 696.96
    2-pentanone 240.63
    anisole 155.62
    cyclopentyl methyl ether 201.95
    gamma-butyrolactone 716.41
    1-methoxy-2-propanol 161.65
    pyridine 559.14
    3-pentanone 218.74
    furfural 493.75
    n-dodecane 5.24
    diethylene glycol 73.74
    diisopropyl ether 27.09
    tert-amyl alcohol 47.93
    acetylacetone 344.9
    n-hexadecane 6.1
    acetophenone 149.12
    methyl propionate 253.36
    isopentyl acetate 116.04
    trichloroethylene 934.63
    n-nonanol 31.18
    cyclohexanol 54.63
    benzyl alcohol 70.71
    2-ethylhexanol 32.4
    isooctanol 20.02
    dipropyl ether 66.63
    1,2-dichlorobenzene 183.92
    ethyl lactate 52.43
    propylene carbonate 279.16
    n-methylformamide 288.76
    2-pentanol 29.6
    n-pentane 4.59
    1-propoxy-2-propanol 86.35
    1-methoxy-2-propyl acetate 159.99
    2-(2-methoxypropoxy) propanol 107.21
    mesitylene 27.19
    ε-caprolactone 295.29
    p-cymene 26.88
    epichlorohydrin 774.8
    1,1,1-trichloroethane 207.62
    2-aminoethanol 29.19
    morpholine-4-carbaldehyde 473.19
    sulfolane 677.15
    2,2,4-trimethylpentane 3.93
    2-methyltetrahydrofuran 336.26
    n-hexyl acetate 112.59
    isooctane 3.06
    2-(2-butoxyethoxy)ethanol 130.58
    sec-butyl acetate 78.24
    tert-butyl acetate 121.17
    decalin 10.45
    glycerin 30.58
    diglyme 292.28
    acrylic acid 96.88
    isopropyl myristate 49.24
    n-butyric acid 124.7
    acetyl acetate 157.43
    di(2-ethylhexyl) phthalate 43.69
    ethyl propionate 133.01
    nitromethane 553.96
    1,2-diethoxyethane 137.08
    benzonitrile 154.28
    trioctyl phosphate 29.93
    1-bromopropane 194.64
    gamma-valerolactone 662.24
    n-decanol 24.37
    triethyl phosphate 58.89
    4-methyl-2-pentanol 22.11
    propionitrile 161.88
    vinylene carbonate 265.88
    1,1,2-trichlorotrifluoroethane 250.28
    DMS 168.56
    cumene 28.31
    2-octanol 19.56
    2-hexanone 128.77
    octyl acetate 60.36
    limonene 37.85
    1,2-dimethoxyethane 301.43
    ethyl orthosilicate 48.02
    tributyl phosphate 43.21
    diacetone alcohol 126.57
    N,N-dimethylaniline 88.53
    acrylonitrile 281.82
    aniline 103.72
    1,3-propanediol 48.74
    bromobenzene 219.84
    dibromomethane 340.27
    1,1,2,2-tetrachloroethane 653.38
    2-methyl-cyclohexyl acetate 77.31
    tetrabutyl urea 68.21
    diisobutyl methanol 24.18
    2-phenylethanol 70.32
    styrene 79.78
    dioctyl adipate 83.05
    dimethyl sulfate 252.02
    ethyl butyrate 112.82
    methyl lactate 102.08
    butyl lactate 58.1
    diethyl carbonate 85.89
    propanediol butyl ether 58.71
    triethyl orthoformate 70.33
    p-tert-butyltoluene 26.79
    methyl 4-tert-butylbenzoate 104.57
    morpholine 422.34
    tert-butylamine 30.29
    n-dodecanol 19.88
    dimethoxymethane 453.64
    ethylene carbonate 186.41
    cyrene 94.37
    2-ethoxyethyl acetate 122.86
    2-ethylhexyl acetate 90.91
    1,2,4-trichlorobenzene 206.2
    4-methylpyridine 405.4
    dibutyl ether 70.44
    2,6-dimethyl-4-heptanol 24.18
    DEF 377.75
    dimethyl isosorbide 215.33
    tetrachloroethylene 268.23
    eugenol 95.77
    triacetin 132.3
    span 80 77.75
    1,4-butanediol 13.64
    1,1-dichloroethane 306.49
    2-methyl-1-pentanol 33.99
    methyl formate 213.92
    2-methyl-1-butanol 36.8
    n-decane 7.11
    butyronitrile 135.42
    3,7-dimethyl-1-octanol 33.52
    1-chlorooctane 32.06
    1-chlorotetradecane 15.89
    n-nonane 6.13
    undecane 5.95
    tert-butylcyclohexane 8.09
    cyclooctane 3.77
    cyclopentanol 81.24
    tetrahydropyran 312.74
    tert-amyl methyl ether 82.58
    2,5,8-trioxanonane 216.76
    1-hexene 37.47
    2-isopropoxyethanol 50.23
    2,2,2-trifluoroethanol 42.26
    methyl butyrate 182.47

    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