TRI-o-CRESYL PHOSPHATE

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  • Identifiers

    CAS number
    78-30-8

    Molecular formula
    C21H21O4P

    SMILES
    CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Floral 56.16%
    Green 42.1%
    Balsamic 40.02%
    Herbal 37.87%
    Phenolic 35.61%
    Fruity 33.66%
    Rose 30.72%
    Spicy 27.6%
    Metallic 26.67%
    Sweet 26.11%

    Scent© AI

  • Properties

    XLogP3-AA
    6.1

    Molecular weight
    368.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -22 to -13 °F (NTP, 1992)
    • 11 °C
    • -35 °C /crystallizing point/
    • MP: SUPERCOOLS; ACIDITY: 0.02 CALCULATED AS % PHOSPHORIC ACID /ISOMERIC MIXT/
    • -22-(-)13 °F
    • 52 °F

    Boiling point

    • 770 °F at 760 mmHg (Slight decomposition) (NTP, 1992)
    • 410 °C
    • BP: approximately 410 °C with slight decomposition
    • 420 °C
    • 770 °F (Slight decomposition)
    • 770 °F (Decomposes)

    Flash point est.
    221.87 ˚C

    Flash point expt.

    • 437 °F (NTP, 1992)
    • 437 °F ( 225 °C) (Closed cup)
    • 225 °C c.c.
    • 437 °F

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Sparingly soluble in water
    • Slightly soluble in alcohol; soluble in ether
    • Very soluble in carbon tetrachloride, ethanol, ether, and toluene; soluble in acetic acid
    • In water, 0.1 mg/L at 25 °C
    • In water, 0.36 mg/L at 25 °C
    • Miscible with all the common solvents and thinners, also with vegetable oils ... .
    • Solubility in water: none
    • Slight

  • Synonyms

    • Tri-o-tolyl phosphate
    • TRI-O-CRESYL PHOSPHATE
    • 78-30-8
    • o-Tolyl phosphate
    • TOCP
    • Phosphoric acid, tris(2-methylphenyl) ester
    • o-Cresyl phosphate
    • Triorthocresyl phosphate
    • TOTP
    • Tri-2-tolyl phosphate
    • Phosflex 179C
    • Tris(o-tolyl) phosphate
    • Phosphoric acid, tri-o-tolyl ester
    • Trojkrezylu fosforan
    • Tri-2-methylphenyl phosphate
    • tri-2-cresyl phosphate
    • Tris(2-methylphenyl) phosphate
    • Tris(o-cresyl)-phosphate
    • o-Trikresylphosphate
    • Phosphoric Acid Tri-o-cresyl Ester
    • Phosphoric acid, tri-o-cresyl ester
    • Tris(o-methylphenyl)phosphate
    • CCRIS 6421
    • HSDB 4084
    • NSC 438
    • UNII-X8II18JD0A
    • Phosphoric acid, tri(2-tolyl)ester
    • EINECS 201-103-5
    • o-Trioyl phosphate
    • X8II18JD0A
    • BRN 1892885
    • TCP (Salt/Mix)
    • DTXSID6032192
    • AI3-00520
    • NSC-438
    • Reofos 65 (Salt/Mix)
    • Fyrquel 150 (Salt/Mix)
    • Cresyl phosphate (Salt/Mix)
    • Tritolyl phosphate (Salt/Mix)
    • Tricresyl phosphate (Salt/Mix)
    • DTXCID4012192
    • 4-06-00-01979 (Beilstein Handbook Reference)
    • TRI-O-TOLYL PHOSPHATE [MI]
    • TRI-O-CRESYL PHOSPHATE [HSDB]
    • Phosphoric acid, tri-2-methylphenyl ester
    • Phosphoric acid, tris(methylphenyl) ester (Salt/Mix)
    • Tris(o-tolyl)-phosphate
    • Tri 2-methylphenyl phosphate
    • o-Trikresylphosphate [German]
    • Trojkrezylu fosforan [Polish]
    • Phosphoric Acid Tris(2-?methylphenyl) Ester
    • triorthotolyl phosphate
    • Tri-ortho-cresylphosphate
    • MFCD00041906
    • Kronitex
    • Lindol
    • Tofk
    • Cresyl phosphate
    • Dis-flamoll TKP
    • o-Trikesylphosphate
    • Triocresyl phosphate
    • Celluflex 179C
    • Triorthokresylphosphat
    • Fyrquel 150
    • Flexor plasticizerTCP
    • Tri-o-totyl phosphate
    • SANSOCIZER TCP
    • SUMIGUARD TBT
    • KRONITEX TCP
    • Phosphate de Tricresyl
    • KRONITEX R
    • REOMOL TCP
    • Tri-o-cresyl-phosphate
    • O-CRESYLPHOSPHATE
    • o-Tolyl phosphate;TOCP
    • PHOSPHLEX 179A
    • TRI-O-CRESYL ESTER
    • PHOSFLEX 179-C
    • SCHEMBL35762
    • DURAD 124
    • DURAD 125
    • IMOL S 140
    • NSC438
    • Phosphoric acid, tritolyl ester
    • Tricresyl phosphate (1% or more of the ortho isomer)
    • Tris (tolyloxy) phosphine oxide
    • TRITOLYL PHOSPHATE [MI]
    • CHEMBL3181798
    • Phosphate de Tricresyl (French)
    • SYN-O-AD 8484
    • Tricresyl phosphate (less than 1% of the ortho isomer)
    • TRIS(O-CRESYL) PHOSPHATE
    • BDBM82063
    • Tri-O-tolyl ester phosphoric acid
    • Tris(2-methylphenyl) phosphate #
    • NCI-C61041
    • Phosphoric Acid Tri-o-tolyl Ester
    • TRICRESYL PHOSPHATE [HSDB]
    • TRICRESYL PHOSPHATE [INCI]
    • Triocresyl ester of phosphoric acid
    • BCP30457
    • Phosphoric acid, tri-o-cresyl ether
    • Tox21_202983
    • TRIS(O-METHYLPHENYL) PHOSPHATE
    • WLN: 1R BOPO&OR B1&OR B1
    • AKOS015840507
    • CS-W011802
    • HY-W011086
    • O-TOLYLPHOSPHATE PHOSPHORIC ACID
    • SB66654
    • Triorthocresyl phosphate (ACGIH:OSHA)
    • CAS-78-30-8
    • CAS_78-30-8
    • NCGC00260676-01
    • Tri-o-tolyl phosphate, analytical standard
    • NS00004894
    • P1331
    • TRICRESYL PHOSPHATE (<1% ORTHO ISOMER)
    • PHOSPHORIC ACID,TRIS(2-METHYLPHENYL) ESTER
    • TRICRESYL PHOSPHATE (>= 1% ORTHO ISOMER)
    • Tricresylphosphate, with more than 3% ortho isomer (DOT)
    • 941-548-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 110.37
    methanol 131.43
    isopropanol 68.57
    water 0.71
    ethyl acetate 276.17
    n-propanol 106.47
    acetone 460.1
    n-butanol 93.14
    acetonitrile 258.72
    DMF 1481.35
    toluene 163.75
    isobutanol 71.53
    1,4-dioxane 392.16
    methyl acetate 340.59
    THF 896.41
    2-butanone 395.29
    n-pentanol 59.75
    sec-butanol 72.8
    n-hexane 18.41
    ethylene glycol 19.37
    NMP 971.06
    cyclohexane 38.19
    DMSO 546.9
    n-butyl acetate 173.42
    n-octanol 35.46
    chloroform 1199.81
    n-propyl acetate 127.35
    acetic acid 156.14
    dichloromethane 1279.19
    cyclohexanone 491.6
    propylene glycol 24.37
    isopropyl acetate 163.31
    DMAc 1263.72
    2-ethoxyethanol 108.5
    isopentanol 76.7
    n-heptane 16.27
    ethyl formate 202.9
    1,2-dichloroethane 964.92
    n-hexanol 75.8
    2-methoxyethanol 259.79
    isobutyl acetate 75.17
    tetrachloromethane 82.5
    n-pentyl acetate 119.41
    transcutol 173.64
    n-heptanol 46.25
    ethylbenzene 69.29
    MIBK 151.18
    2-propoxyethanol 183.68
    tert-butanol 78.41
    MTBE 156.06
    2-butoxyethanol 105.1
    propionic acid 127.85
    o-xylene 91.32
    formic acid 78.28
    diethyl ether 215.27
    m-xylene 73.64
    p-xylene 87.33
    chlorobenzene 356.86
    dimethyl carbonate 256.48
    n-octane 9.08
    formamide 229.48
    cyclopentanone 747.05
    2-pentanone 303.71
    anisole 155.14
    cyclopentyl methyl ether 279.78
    gamma-butyrolactone 759.06
    1-methoxy-2-propanol 162.76
    pyridine 569.67
    3-pentanone 319.06
    furfural 539.23
    n-dodecane 6.8
    diethylene glycol 90.93
    diisopropyl ether 57.04
    tert-amyl alcohol 79.49
    acetylacetone 328.22
    n-hexadecane 7.82
    acetophenone 152.4
    methyl propionate 328.15
    isopentyl acetate 143.5
    trichloroethylene 1527.85
    n-nonanol 36.94
    cyclohexanol 89.5
    benzyl alcohol 86.28
    2-ethylhexanol 50.66
    isooctanol 35.68
    dipropyl ether 93.5
    1,2-dichlorobenzene 307.5
    ethyl lactate 53.71
    propylene carbonate 328.9
    n-methylformamide 463.28
    2-pentanol 59.88
    n-pentane 20.58
    1-propoxy-2-propanol 107.79
    1-methoxy-2-propyl acetate 179.13
    2-(2-methoxypropoxy) propanol 79.71
    mesitylene 41.51
    ε-caprolactone 349.16
    p-cymene 40.54
    epichlorohydrin 1049.75
    1,1,1-trichloroethane 458.1
    2-aminoethanol 52.03
    morpholine-4-carbaldehyde 535.86
    sulfolane 700.82
    2,2,4-trimethylpentane 11.34
    2-methyltetrahydrofuran 381.34
    n-hexyl acetate 114.37
    isooctane 6.68
    2-(2-butoxyethoxy)ethanol 99.88
    sec-butyl acetate 88.38
    tert-butyl acetate 145.31
    decalin 15.42
    glycerin 40.21
    diglyme 226.26
    acrylic acid 132.18
    isopropyl myristate 50.14
    n-butyric acid 171.87
    acetyl acetate 189.93
    di(2-ethylhexyl) phthalate 51.31
    ethyl propionate 147.02
    nitromethane 582.88
    1,2-diethoxyethane 140.19
    benzonitrile 163.22
    trioctyl phosphate 37.69
    1-bromopropane 378.24
    gamma-valerolactone 765.25
    n-decanol 28.54
    triethyl phosphate 64.13
    4-methyl-2-pentanol 38.05
    propionitrile 223.69
    vinylene carbonate 356.87
    1,1,2-trichlorotrifluoroethane 354.06
    DMS 184.08
    cumene 38.69
    2-octanol 32.36
    2-hexanone 137.33
    octyl acetate 67.93
    limonene 57.47
    1,2-dimethoxyethane 292.21
    ethyl orthosilicate 59.39
    tributyl phosphate 48.93
    diacetone alcohol 120.68
    N,N-dimethylaniline 106.17
    acrylonitrile 328.11
    aniline 163.0
    1,3-propanediol 84.84
    bromobenzene 404.73
    dibromomethane 746.29
    1,1,2,2-tetrachloroethane 1065.62
    2-methyl-cyclohexyl acetate 87.29
    tetrabutyl urea 80.87
    diisobutyl methanol 32.33
    2-phenylethanol 106.27
    styrene 96.34
    dioctyl adipate 69.85
    dimethyl sulfate 359.51
    ethyl butyrate 116.74
    methyl lactate 108.81
    butyl lactate 70.88
    diethyl carbonate 89.68
    propanediol butyl ether 50.52
    triethyl orthoformate 80.05
    p-tert-butyltoluene 39.07
    methyl 4-tert-butylbenzoate 109.94
    morpholine 455.05
    tert-butylamine 55.11
    n-dodecanol 23.07
    dimethoxymethane 570.5
    ethylene carbonate 285.37
    cyrene 91.23
    2-ethoxyethyl acetate 168.16
    2-ethylhexyl acetate 124.13
    1,2,4-trichlorobenzene 323.15
    4-methylpyridine 470.78
    dibutyl ether 58.9
    2,6-dimethyl-4-heptanol 32.33
    DEF 458.91
    dimethyl isosorbide 188.87
    tetrachloroethylene 558.57
    eugenol 96.32
    triacetin 98.91
    span 80 64.32
    1,4-butanediol 27.0
    1,1-dichloroethane 566.09
    2-methyl-1-pentanol 56.41
    methyl formate 365.16
    2-methyl-1-butanol 77.64
    n-decane 10.49
    butyronitrile 177.21
    3,7-dimethyl-1-octanol 37.11
    1-chlorooctane 43.54
    1-chlorotetradecane 21.08
    n-nonane 9.46
    undecane 8.11
    tert-butylcyclohexane 11.3
    cyclooctane 11.94
    cyclopentanol 126.33
    tetrahydropyran 355.56
    tert-amyl methyl ether 130.14
    2,5,8-trioxanonane 147.53
    1-hexene 59.85
    2-isopropoxyethanol 68.76
    2,2,2-trifluoroethanol 86.2
    methyl butyrate 177.13

    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