Diphenylcyclopropenone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    886-38-4

    Molecular formula
    C15H10O

    SMILES
    C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 60.01%
    Fruity 49.06%
    Balsamic 33.41%
    Rose 33.0%
    Neroli 29.86%
    Honey 29.61%
    Phenolic 28.14%
    Powdery 26.11%
    Grape 25.76%
    Orange 25.2%

     

    Flavor
    Bitter 84.06%
    Tar 19.68%
    Nitrile 19.59%
    Animal 19.47%
    Moth ball 19.36%
    Naphthelene 18.99%
    Tarry 18.97%
    Very strong 18.88%
    Geranium 18.46%
    Indole 18.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    3.28 (weak acid)

    Molecular weight
    206.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    412°C

    Flash point

    • 162.34 ˚C est.

  • Synonyms

    • Diphenylcyclopropenone
    • 886-38-4
    • Diphencyprone
    • 2,3-Diphenylcycloprop-2-en-1-one
    • 2,3-Diphenylcyclopropenone
    • 2-Cyclopropen-1-one, 2,3-diphenyl-
    • DPCP
    • I7G14NW5EC
    • NSC-57541
    • DTXSID2046545
    • CHEBI:53074
    • DTXCID0026545
    • NSC57541
    • RefChem:134675
    • 212-948-4
    • 2,3-Diphenylcycloprop-2-enone
    • 1,2-Diphenylcyclopropen-3-one
    • Cyclopropenone, diphenyl-
    • 2,3-Diphenyl-2-cyclopropen-1-one
    • MFCD00001311
    • Cyclopropenone, 2,3-diphenyl-
    • DIPHENYLCYCLOPENONE
    • NCGC00166113-01
    • CAS-886-38-4
    • SMR000449319
    • diphenylcycloprop-2-en-1-one
    • EINECS 212-948-4
    • NSC 57541
    • UNII-I7G14NW5EC
    • 2,3-Bis[(~2~H_5_)phenyl]cycloprop-2-en-1-one
    • 40736-43-4
    • CPD000449319
    • Maybridge1_002005
    • DIPHENCYPRONE [MI]
    • Cyclopropenone,3-diphenyl-
    • Epitope ID:113236
    • 2,3-diphenyl cyclopropenone
    • Diphenylcyclopropenone, 98%
    • MLS000758252
    • MLS001424007
    • DIPHENCYPRONE [MART.]
    • SCHEMBL105663
    • DIPHENCYPRONE [WHO-DD]
    • orb1306359
    • CHEMBL1373467
    • HMS547D03
    • 2-Cyclopropen-1-one,3-diphenyl-
    • HMS2051I09
    • HMS2231A10
    • HMS3393I09
    • Tox21_112322
    • 2,3-Diphenyl-2-cyclopropene-1-one
    • 2,3-diphenyl-cycloprop-2-en-1-one
    • CCG-55613
    • GEO-01240
    • SBB059194
    • STK289679
    • AKOS005257686
    • Tox21_112322_1
    • CS-W015321
    • DB12173
    • FD06273
    • HY-W014605
    • NC00029
    • PS-4199
    • SB17263
    • NCGC00166113-02
    • NCGC00166113-04
    • SY061804
    • DB-364349
    • NS00039282
    • ST50319444
    • F17153
    • AD-310/30361065
    • Diphenylcyclopropenone, purum, >=98.0% (HPLC)
    • F050911
    • Q5279743
    • SR-01000644630-1
    • BRD-K51730347-001-05-6
    • BRD-K51730347-001-06-4
    • InChI=1/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10
    • 886-38-4

  • Applications

    Diphenylcyclopropenone (CAS 886-38-4) is a specialized electrophilic reagent primarily used as a potent skin sensitizer in dermatology and immunology research, acting as a hapten to study immune responses and to support patch-testing concepts in controlled settings. It is also employed in topical immunotherapy research where regulated protocols explore immune modulation pathways. In the chemical sciences, it serves as a reactive building block for the synthesis of cyclopropenone derivatives, supporting the development of specialty materials and certain dye or polymer chemistries. Additionally, it is used as a research reagent to probe protein–immune system interactions under appropriate regulatory controls. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.89
    methanol 33.2
    isopropanol 33.69
    water 0.09
    ethyl acetate 153.53
    n-propanol 54.09
    acetone 358.02
    n-butanol 41.32
    acetonitrile 150.36
    DMF 998.49
    toluene 70.4
    isobutanol 35.83
    1,4-dioxane 257.61
    methyl acetate 220.95
    THF 496.47
    2-butanone 318.73
    n-pentanol 30.29
    sec-butanol 34.28
    n-hexane 3.32
    ethylene glycol 16.76
    NMP 481.22
    cyclohexane 7.09
    DMSO 236.78
    n-butyl acetate 86.06
    n-octanol 15.44
    chloroform 367.42
    n-propyl acetate 98.79
    acetic acid 77.41
    dichloromethane 424.53
    cyclohexanone 364.55
    propylene glycol 22.69
    isopropyl acetate 92.63
    DMAc 613.79
    2-ethoxyethanol 64.65
    isopentanol 36.39
    n-heptane 4.21
    ethyl formate 110.03
    1,2-dichloroethane 438.55
    n-hexanol 32.83
    2-methoxyethanol 135.63
    isobutyl acetate 66.16
    tetrachloromethane 18.77
    n-pentyl acetate 52.74
    transcutol 127.12
    n-heptanol 19.33
    ethylbenzene 48.33
    MIBK 105.26
    2-propoxyethanol 79.14
    tert-butanol 34.28
    MTBE 56.79
    2-butoxyethanol 43.76
    propionic acid 79.76
    o-xylene 35.9
    formic acid 21.98
    diethyl ether 91.83
    m-xylene 34.95
    p-xylene 54.01
    chlorobenzene 133.23
    dimethyl carbonate 143.01
    n-octane 2.55
    formamide 96.24
    cyclopentanone 623.93
    2-pentanone 202.14
    anisole 126.44
    cyclopentyl methyl ether 134.92
    gamma-butyrolactone 544.12
    1-methoxy-2-propanol 94.05
    pyridine 494.11
    3-pentanone 187.41
    furfural 348.79
    n-dodecane 2.26
    diethylene glycol 58.77
    diisopropyl ether 24.53
    tert-amyl alcohol 30.64
    acetylacetone 248.36
    n-hexadecane 2.75
    acetophenone 127.39
    methyl propionate 195.37
    isopentyl acetate 78.77
    trichloroethylene 826.07
    n-nonanol 15.91
    cyclohexanol 41.22
    benzyl alcohol 71.36
    2-ethylhexanol 26.85
    isooctanol 18.67
    dipropyl ether 45.22
    1,2-dichlorobenzene 122.99
    ethyl lactate 47.85
    propylene carbonate 207.37
    n-methylformamide 233.55
    2-pentanol 27.68
    n-pentane 2.53
    1-propoxy-2-propanol 51.52
    1-methoxy-2-propyl acetate 96.01
    2-(2-methoxypropoxy) propanol 45.44
    mesitylene 21.13
    ε-caprolactone 233.78
    p-cymene 21.57
    epichlorohydrin 637.22
    1,1,1-trichloroethane 174.19
    2-aminoethanol 34.46
    morpholine-4-carbaldehyde 285.9
    sulfolane 428.18
    2,2,4-trimethylpentane 2.61
    2-methyltetrahydrofuran 230.31
    n-hexyl acetate 62.31
    isooctane 2.24
    2-(2-butoxyethoxy)ethanol 53.61
    sec-butyl acetate 66.07
    tert-butyl acetate 86.92
    decalin 7.12
    glycerin 35.69
    diglyme 152.23
    acrylic acid 91.49
    isopropyl myristate 25.49
    n-butyric acid 92.78
    acetyl acetate 97.34
    di(2-ethylhexyl) phthalate 24.17
    ethyl propionate 103.26
    nitromethane 329.35
    1,2-diethoxyethane 62.94
    benzonitrile 117.85
    trioctyl phosphate 15.67
    1-bromopropane 114.34
    gamma-valerolactone 490.84
    n-decanol 11.88
    triethyl phosphate 40.83
    4-methyl-2-pentanol 21.63
    propionitrile 131.63
    vinylene carbonate 196.84
    1,1,2-trichlorotrifluoroethane 200.65
    DMS 98.82
    cumene 27.21
    2-octanol 14.2
    2-hexanone 112.74
    octyl acetate 29.15
    limonene 26.4
    1,2-dimethoxyethane 211.66
    ethyl orthosilicate 35.35
    tributyl phosphate 19.92
    diacetone alcohol 96.57
    N,N-dimethylaniline 65.13
    acrylonitrile 225.82
    aniline 90.29
    1,3-propanediol 47.53
    bromobenzene 135.18
    dibromomethane 223.47
    1,1,2,2-tetrachloroethane 454.88
    2-methyl-cyclohexyl acetate 56.82
    tetrabutyl urea 32.95
    diisobutyl methanol 19.82
    2-phenylethanol 59.54
    styrene 62.71
    dioctyl adipate 40.44
    dimethyl sulfate 197.95
    ethyl butyrate 75.63
    methyl lactate 78.89
    butyl lactate 35.79
    diethyl carbonate 59.12
    propanediol butyl ether 30.43
    triethyl orthoformate 45.73
    p-tert-butyltoluene 19.96
    methyl 4-tert-butylbenzoate 64.21
    morpholine 274.45
    tert-butylamine 20.42
    n-dodecanol 9.56
    dimethoxymethane 293.45
    ethylene carbonate 138.7
    cyrene 76.77
    2-ethoxyethyl acetate 80.21
    2-ethylhexyl acetate 63.3
    1,2,4-trichlorobenzene 148.94
    4-methylpyridine 291.9
    dibutyl ether 31.89
    2,6-dimethyl-4-heptanol 19.82
    DEF 242.81
    dimethyl isosorbide 113.48
    tetrachloroethylene 232.01
    eugenol 59.53
    triacetin 65.01
    span 80 33.58
    1,4-butanediol 18.69
    1,1-dichloroethane 218.51
    2-methyl-1-pentanol 30.55
    methyl formate 193.71
    2-methyl-1-butanol 34.35
    n-decane 3.5
    butyronitrile 97.04
    3,7-dimethyl-1-octanol 18.24
    1-chlorooctane 18.77
    1-chlorotetradecane 7.96
    n-nonane 3.1
    undecane 2.71
    tert-butylcyclohexane 5.83
    cyclooctane 2.59
    cyclopentanol 70.8
    tetrahydropyran 216.47
    tert-amyl methyl ether 46.77
    2,5,8-trioxanonane 91.73
    1-hexene 22.11
    2-isopropoxyethanol 46.08
    2,2,2-trifluoroethanol 42.92
    methyl butyrate 147.22

    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