p-Cresyl diphenyl phosphate

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  • Identifiers

    CAS number
    78-31-9

    Molecular formula
    C19H17O4P

    SMILES
    CC1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

  • Odor profile

    Floral 71.65%
    Green 67.48%
    Balsamic 50.84%
    Rose 49.52%
    Metallic 39.96%
    Geranium 34.37%
    Phenolic 31.98%
    Herbal 31.48%
    Fruity 30.96%
    Leafy 29.31%

    Scent© AI

  • Properties

    XLogP3-AA
    5.0

    Molecular weight
    340.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    468°C

    Melting point expt.

    • -40 °C

    Flash point est.
    218.43 ˚C

    Solubility expt.

    • Insoluble in water
    • Soluble in organic solvents

  • Synonyms

    • Diphenyl p-tolyl phosphate
    • 78-31-9
    • p-Cresyl diphenyl phosphate.
    • Diphenyl 4-tolyl phosphate
    • (4-methylphenyl) diphenyl phosphate
    • P-CRESYL DIPHENYL PHOSPHATE
    • X0UF1XXO1Q
    • Phosphoric Acid Cresyl Diphenyl Ester
    • Phosphoric acid, 4-methylphenyl diphenyl ester
    • Phosphoric acid, diphenyl p-tolyl ester
    • HSDB 2558
    • EINECS 201-104-0
    • DTXSID70274039
    • P-CRESYL DIPHENYL PHOSPHATE [HSDB]
    • PHENYL P-TOLYL PHOSPHATE ((PHO)2(C7H7O)PO)
    • UNII-X0UF1XXO1Q
    • Diphenyl4-tolylphosphate
    • Diphenyl ptolyl phosphate
    • DSSTox_CID_4861
    • Monotolyl diphenyl phosphate
    • DSSTox_RID_77555
    • DSSTox_GSID_24861
    • SCHEMBL35597
    • DTXCID204861
    • CHEMBL3187626
    • MSK22669
    • 4-Methylphenyl diphenyl phosphate #
    • Tox21_202888
    • AKOS015899069
    • Phosphoric acid, diphenyl ptolyl ester
    • NCGC00260434-01
    • CAS-26444-49-5
    • DB-351173
    • CS-0373923
    • NS00076535
    • Phosphoric acid, 4methylphenyl diphenyl ester
    • Cresyl diphenyl phosphate (mixture of analogue)
    • F88144
    • Diphenyl p-tolyl phosphate (mixture of analogue)
    • 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoicacid
    • Q27293237
    • 201-104-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 273.58
    methanol 299.13
    isopropanol 128.23
    water 0.22
    ethyl acetate 364.91
    n-propanol 225.69
    acetone 617.47
    n-butanol 190.3
    acetonitrile 330.8
    DMF 2016.2
    toluene 314.42
    isobutanol 119.78
    1,4-dioxane 529.1
    methyl acetate 418.8
    THF 1683.88
    2-butanone 636.86
    n-pentanol 87.21
    sec-butanol 158.02
    n-hexane 12.35
    ethylene glycol 32.38
    NMP 1368.51
    cyclohexane 45.84
    DMSO 1260.87
    n-butyl acetate 197.27
    n-octanol 48.53
    chloroform 1707.12
    n-propyl acetate 145.95
    acetic acid 235.7
    dichloromethane 1728.95
    cyclohexanone 854.65
    propylene glycol 59.88
    isopropyl acetate 176.56
    DMAc 1567.62
    2-ethoxyethanol 137.7
    isopentanol 109.98
    n-heptane 14.75
    ethyl formate 269.44
    1,2-dichloroethane 1248.38
    n-hexanol 106.76
    2-methoxyethanol 474.71
    isobutyl acetate 78.03
    tetrachloromethane 64.28
    n-pentyl acetate 122.91
    transcutol 302.39
    n-heptanol 55.28
    ethylbenzene 76.1
    MIBK 164.02
    2-propoxyethanol 227.06
    tert-butanol 101.04
    MTBE 149.29
    2-butoxyethanol 116.83
    propionic acid 211.65
    o-xylene 104.37
    formic acid 98.95
    diethyl ether 279.82
    m-xylene 93.5
    p-xylene 89.16
    chlorobenzene 508.43
    dimethyl carbonate 257.75
    n-octane 6.96
    formamide 318.86
    cyclopentanone 1282.25
    2-pentanone 421.92
    anisole 199.71
    cyclopentyl methyl ether 403.96
    gamma-butyrolactone 1076.03
    1-methoxy-2-propanol 299.27
    pyridine 1252.81
    3-pentanone 399.21
    furfural 840.44
    n-dodecane 6.8
    diethylene glycol 119.59
    diisopropyl ether 45.37
    tert-amyl alcohol 113.66
    acetylacetone 415.53
    n-hexadecane 7.75
    acetophenone 187.96
    methyl propionate 413.67
    isopentyl acetate 144.12
    trichloroethylene 2017.06
    n-nonanol 49.83
    cyclohexanol 180.12
    benzyl alcohol 130.87
    2-ethylhexanol 60.15
    isooctanol 39.72
    dipropyl ether 101.8
    1,2-dichlorobenzene 347.9
    ethyl lactate 71.88
    propylene carbonate 447.06
    n-methylformamide 663.3
    2-pentanol 96.54
    n-pentane 17.59
    1-propoxy-2-propanol 143.89
    1-methoxy-2-propyl acetate 201.54
    2-(2-methoxypropoxy) propanol 115.06
    mesitylene 44.15
    ε-caprolactone 509.62
    p-cymene 39.87
    epichlorohydrin 1450.51
    1,1,1-trichloroethane 470.03
    2-aminoethanol 117.9
    morpholine-4-carbaldehyde 653.11
    sulfolane 1088.75
    2,2,4-trimethylpentane 8.17
    2-methyltetrahydrofuran 609.92
    n-hexyl acetate 134.6
    isooctane 5.03
    2-(2-butoxyethoxy)ethanol 147.91
    sec-butyl acetate 93.98
    tert-butyl acetate 153.31
    decalin 13.96
    glycerin 81.69
    diglyme 293.81
    acrylic acid 213.51
    isopropyl myristate 58.43
    n-butyric acid 297.2
    acetyl acetate 220.64
    di(2-ethylhexyl) phthalate 63.52
    ethyl propionate 166.86
    nitromethane 725.64
    1,2-diethoxyethane 144.21
    benzonitrile 250.05
    trioctyl phosphate 43.53
    1-bromopropane 540.85
    gamma-valerolactone 1130.48
    n-decanol 38.06
    triethyl phosphate 66.86
    4-methyl-2-pentanol 43.63
    propionitrile 313.7
    vinylene carbonate 468.61
    1,1,2-trichlorotrifluoroethane 540.71
    DMS 201.82
    cumene 36.62
    2-octanol 36.99
    2-hexanone 171.26
    octyl acetate 78.39
    limonene 58.87
    1,2-dimethoxyethane 379.82
    ethyl orthosilicate 57.15
    tributyl phosphate 56.08
    diacetone alcohol 163.2
    N,N-dimethylaniline 111.8
    acrylonitrile 473.24
    aniline 326.25
    1,3-propanediol 164.85
    bromobenzene 539.13
    dibromomethane 1107.65
    1,1,2,2-tetrachloroethane 1540.66
    2-methyl-cyclohexyl acetate 92.66
    tetrabutyl urea 93.12
    diisobutyl methanol 33.77
    2-phenylethanol 131.26
    styrene 127.01
    dioctyl adipate 91.4
    dimethyl sulfate 370.05
    ethyl butyrate 139.26
    methyl lactate 171.01
    butyl lactate 98.38
    diethyl carbonate 101.64
    propanediol butyl ether 86.84
    triethyl orthoformate 88.05
    p-tert-butyltoluene 36.56
    methyl 4-tert-butylbenzoate 122.7
    morpholine 766.77
    tert-butylamine 63.66
    n-dodecanol 30.03
    dimethoxymethane 715.61
    ethylene carbonate 364.54
    cyrene 120.27
    2-ethoxyethyl acetate 176.87
    2-ethylhexyl acetate 119.32
    1,2,4-trichlorobenzene 417.48
    4-methylpyridine 861.8
    dibutyl ether 70.25
    2,6-dimethyl-4-heptanol 33.77
    DEF 591.08
    dimethyl isosorbide 239.71
    tetrachloroethylene 682.65
    eugenol 127.34
    triacetin 134.81
    span 80 105.84
    1,4-butanediol 36.36
    1,1-dichloroethane 732.28
    2-methyl-1-pentanol 69.61
    methyl formate 449.73
    2-methyl-1-butanol 132.98
    n-decane 9.75
    butyronitrile 290.57
    3,7-dimethyl-1-octanol 46.3
    1-chlorooctane 46.27
    1-chlorotetradecane 22.28
    n-nonane 8.64
    undecane 7.78
    tert-butylcyclohexane 8.8
    cyclooctane 10.85
    cyclopentanol 264.53
    tetrahydropyran 658.71
    tert-amyl methyl ether 138.8
    2,5,8-trioxanonane 201.87
    1-hexene 65.88
    2-isopropoxyethanol 72.66
    2,2,2-trifluoroethanol 87.1
    methyl butyrate 232.38

    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