Tri-p-cresyl phosphate

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  • Identifiers

    CAS number
    78-32-0

    Molecular formula
    C21H21O4P

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Floral 74.78%
    Green 59.06%
    Rose 44.42%
    Balsamic 39.55%
    Phenolic 33.89%
    Metallic 33.84%
    Geranium 33.27%
    Animal 31.27%
    Fruity 30.87%
    Herbal 30.08%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    Molecular weight
    368.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 171 to 172 °F (NTP, 1992)
    • 77.5 °C
    • MP: SUPERCOOLS; ACIDITY: 0.02 CALCULATED AS % PHOSPHORIC ACID; VISC: 60 CENTISTOKE @ 25 °C & 4.0 CENTISTOKE @ 100 °C /ISOMERIC MIXT/

    Boiling point

    • 435 °F at 3.5 mmHg (NTP, 1992)
    • BP: 224 °C at 35 mm Hg

    Flash point est.
    222.65 ˚C

    Flash point expt.

    • 410 °F (CLOSED CUP)

    Solubility expt.

    • Insoluble (NTP, 1992)
    • Water solubility: 0.1 mg/L at 25 °C /Isomeric mixture/
    • In water, 0.074 mg/L at 24 °C /Practical grade/
    • Soluble in ethanol, ethyl ether, benzene, chloroform.

  • Synonyms

    • TRICRESYL PHOSPHATE
    • 78-32-0
    • Tri-p-tolyl phosphate
    • TRI-P-CRESYL PHOSPHATE
    • Tris(4-methylphenyl) phosphate
    • Phosphoric acid, tris(4-methylphenyl) ester
    • Phosphoric acid, tri-p-tolyl ester
    • tri-p-tolylphosphate
    • Phosphoric acid, tri(4-tolyl)ester
    • tris-p-tolyl phosphate
    • HSDB 2559
    • tricresylphosphate
    • NSC 2181
    • EINECS 201-105-6
    • UNII-5149JKD098
    • AI3-04490
    • Tri-4-cresyl phosphate
    • NSC-2181
    • p-Tolyl phosphate ((C7H7O)3PO)
    • Tris(p-cresyl) phosphate
    • 5149JKD098
    • Tris(p-methylphenyl) phosphate
    • DTXSID5052676
    • Phosphoric Acid Tri-p-tolyl Ester
    • TRI-P-CRESYL PHOSPHATE [HSDB]
    • TPC
    • Phosphoric acid, tris(methylphenyl) ester
    • DSSTox_CID_1391
    • DSSTox_RID_76133
    • DSSTox_GSID_21391
    • CAS-1330-78-5
    • Phosphoric Acid Tris(4-?methylphenyl) Ester
    • Triptolyl phosphate
    • MFCD00041908
    • 4-methylphenyl di4-methylphenyl phosphate
    • Phosphoric Acid Tris(4-methylphenyl) Ester
    • SCHEMBL21582
    • DTXCID801391
    • CHEMBL1596847
    • Phosphoric acid, triptolyl ester
    • NSC2181
    • Phosphoric acid, tri(4tolyl)ester
    • Phosphoric Acid Tri-p-cresyl Ester
    • Tox21_201546
    • Tox21_302886
    • BBL000008
    • STK368776
    • AKOS005208650
    • Tritolyl phosphate, mixture of isomers
    • MSK000206-100T
    • P-TOLYL PHOSPHATE (C7H7O)3PO
    • Tricresyl phosphate, mixture of isomers
    • NCGC00091176-01
    • NCGC00091176-02
    • NCGC00091176-03
    • NCGC00164427-01
    • NCGC00256457-01
    • NCGC00260672-01
    • Tricresyl phosphate (Tritolyl phosphate)
    • Phosphoric acid, tris(4methylphenyl) ester
    • DB-353155
    • CS-0313141
    • NS00008724
    • T2209
    • D92582
    • Tritolyl phosphate Solution in Toluene, 100ug/mL
    • Q26840796

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 107.09
    methanol 86.67
    isopropanol 68.16
    water 0.15
    ethyl acetate 285.21
    n-propanol 110.33
    acetone 382.12
    n-butanol 93.09
    acetonitrile 204.45
    DMF 1011.5
    toluene 244.42
    isobutanol 67.87
    1,4-dioxane 338.94
    methyl acetate 327.0
    THF 1036.11
    2-butanone 443.04
    n-pentanol 61.84
    sec-butanol 96.69
    n-hexane 19.79
    ethylene glycol 12.5
    NMP 1070.94
    cyclohexane 38.91
    DMSO 661.4
    n-butyl acetate 178.83
    n-octanol 29.26
    chloroform 1975.35
    n-propyl acetate 137.39
    acetic acid 155.28
    dichloromethane 1783.83
    cyclohexanone 528.28
    propylene glycol 29.24
    isopropyl acetate 161.79
    DMAc 1097.68
    2-ethoxyethanol 101.27
    isopentanol 69.11
    n-heptane 13.92
    ethyl formate 176.8
    1,2-dichloroethane 1061.02
    n-hexanol 68.73
    2-methoxyethanol 205.95
    isobutyl acetate 73.58
    tetrachloromethane 101.54
    n-pentyl acetate 111.3
    transcutol 196.51
    n-heptanol 39.28
    ethylbenzene 91.79
    MIBK 135.82
    2-propoxyethanol 152.08
    tert-butanol 70.58
    MTBE 148.21
    2-butoxyethanol 87.93
    propionic acid 146.41
    o-xylene 109.37
    formic acid 59.6
    diethyl ether 208.09
    m-xylene 100.35
    p-xylene 105.09
    chlorobenzene 440.62
    dimethyl carbonate 220.29
    n-octane 6.15
    formamide 180.37
    cyclopentanone 816.99
    2-pentanone 288.83
    anisole 211.58
    cyclopentyl methyl ether 309.69
    gamma-butyrolactone 802.44
    1-methoxy-2-propanol 164.19
    pyridine 725.16
    3-pentanone 303.48
    furfural 606.39
    n-dodecane 4.56
    diethylene glycol 64.48
    diisopropyl ether 50.94
    tert-amyl alcohol 90.15
    acetylacetone 303.94
    n-hexadecane 5.36
    acetophenone 188.14
    methyl propionate 324.28
    isopentyl acetate 139.27
    trichloroethylene 1964.17
    n-nonanol 31.25
    cyclohexanol 101.72
    benzyl alcohol 108.56
    2-ethylhexanol 47.73
    isooctanol 30.29
    dipropyl ether 91.74
    1,2-dichlorobenzene 382.79
    ethyl lactate 61.4
    propylene carbonate 366.51
    n-methylformamide 365.22
    2-pentanol 62.82
    n-pentane 18.78
    1-propoxy-2-propanol 108.06
    1-methoxy-2-propyl acetate 187.52
    2-(2-methoxypropoxy) propanol 92.34
    mesitylene 49.78
    ε-caprolactone 374.14
    p-cymene 40.26
    epichlorohydrin 1150.24
    1,1,1-trichloroethane 571.25
    2-aminoethanol 47.89
    morpholine-4-carbaldehyde 516.64
    sulfolane 849.72
    2,2,4-trimethylpentane 10.4
    2-methyltetrahydrofuran 481.31
    n-hexyl acetate 113.47
    isooctane 5.58
    2-(2-butoxyethoxy)ethanol 100.99
    sec-butyl acetate 97.01
    tert-butyl acetate 149.58
    decalin 16.18
    glycerin 40.29
    diglyme 221.88
    acrylic acid 142.27
    isopropyl myristate 46.58
    n-butyric acid 190.5
    acetyl acetate 186.84
    di(2-ethylhexyl) phthalate 52.53
    ethyl propionate 160.47
    nitromethane 513.98
    1,2-diethoxyethane 119.1
    benzonitrile 175.65
    trioctyl phosphate 34.17
    1-bromopropane 465.07
    gamma-valerolactone 785.15
    n-decanol 24.12
    triethyl phosphate 67.33
    4-methyl-2-pentanol 35.06
    propionitrile 202.66
    vinylene carbonate 362.2
    1,1,2-trichlorotrifluoroethane 505.71
    DMS 178.8
    cumene 44.6
    2-octanol 26.49
    2-hexanone 147.11
    octyl acetate 63.44
    limonene 59.17
    1,2-dimethoxyethane 255.72
    ethyl orthosilicate 59.17
    tributyl phosphate 47.31
    diacetone alcohol 128.34
    N,N-dimethylaniline 132.31
    acrylonitrile 295.16
    aniline 230.17
    1,3-propanediol 68.57
    bromobenzene 525.41
    dibromomethane 1104.17
    1,1,2,2-tetrachloroethane 1571.49
    2-methyl-cyclohexyl acetate 97.61
    tetrabutyl urea 76.95
    diisobutyl methanol 27.46
    2-phenylethanol 113.35
    styrene 132.25
    dioctyl adipate 75.71
    dimethyl sulfate 351.3
    ethyl butyrate 128.98
    methyl lactate 122.71
    butyl lactate 76.67
    diethyl carbonate 97.22
    propanediol butyl ether 55.23
    triethyl orthoformate 86.18
    p-tert-butyltoluene 37.76
    methyl 4-tert-butylbenzoate 114.88
    morpholine 480.5
    tert-butylamine 49.87
    n-dodecanol 18.64
    dimethoxymethane 421.74
    ethylene carbonate 284.95
    cyrene 110.56
    2-ethoxyethyl acetate 158.14
    2-ethylhexyl acetate 123.98
    1,2,4-trichlorobenzene 453.42
    4-methylpyridine 557.56
    dibutyl ether 55.21
    2,6-dimethyl-4-heptanol 27.46
    DEF 400.82
    dimethyl isosorbide 206.63
    tetrachloroethylene 688.99
    eugenol 102.31
    triacetin 109.82
    span 80 77.2
    1,4-butanediol 21.16
    1,1-dichloroethane 739.75
    2-methyl-1-pentanol 56.87
    methyl formate 260.31
    2-methyl-1-butanol 80.31
    n-decane 7.16
    butyronitrile 175.44
    3,7-dimethyl-1-octanol 33.64
    1-chlorooctane 39.58
    1-chlorotetradecane 16.55
    n-nonane 6.55
    undecane 5.52
    tert-butylcyclohexane 11.39
    cyclooctane 12.2
    cyclopentanol 143.58
    tetrahydropyran 421.78
    tert-amyl methyl ether 140.37
    2,5,8-trioxanonane 149.34
    1-hexene 73.56
    2-isopropoxyethanol 63.58
    2,2,2-trifluoroethanol 74.64
    methyl butyrate 190.63

    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