Tris(p-t-butylphenyl) phosphate

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  • Identifiers

    CAS number
    78-33-1

    Molecular formula
    C30H39O4P

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

    Safety labels

  • Odor profile

    Fragrance
    Green 55.61%
    Floral 52.06%
    Balsamic 41.37%
    Woody 39.17%
    Herbal 35.21%
    Rose 34.24%
    Fruity 33.36%
    Fresh 30.17%
    Dry 27.4%
    Spicy 27.06%

     

    Flavor
    Woody 33.77%
    Camphor 31.31%
    Bitter 29.28%
    Herbal 29.11%
    Phenolic 24.94%
    Mild 21.86%
    Musty 21.04%
    Creosote 20.26%
    Thymol 19.88%
    Spice 19.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    8.24 (weak base)

    Molecular weight
    494.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    576°C

    Flash point

    • 248.88 ˚C est.

  • Synonyms

    • Tris(4-tert-butylphenyl) phosphate
    • 78-33-1
    • Tris(p-tert-butylphenyl) phosphate
    • p-tert-Butylphenol, phosphate (3:1)
    • Phenol, 4-(1,1-dimethylethyl)-, phosphate (3:1)
    • TRIS(P-T-BUTYLPHENYL) PHOSPHATE
    • Phenol, p-tert-butyl-, phosphate (3:1)
    • HSDB 5219
    • Phosphate, tris(tert-butylphenyl)
    • NSC 2884
    • NSC-2884
    • EINECS 201-106-1
    • X7657453VT
    • AI3-17846
    • DTXSID3051466
    • LORSVOJSXMHDHF-UHFFFAOYSA-
    • Phenol, 4-(1,1-dimethylethyl)-, 1,1',1''-phosphate
    • RefChem:900356
    • DTXCID709866
    • Tris(ptertbutylphenyl) phosphate
    • Phosphate, tris(tertbutylphenyl)
    • Tris(4tertbutylphenyl) phosphate
    • ptertButylphenol, phosphate (3:1)
    • Phenol, ptertbutyl, phosphate (3:1)
    • Phenol, 4(1,1dimethylethyl), phosphate (3:1)
    • Phenol, p-tert-butyl-, phosphate (3:1) (8CI)
    • Phenol, 4(1,1dimethylethyl), 1,1',1''phosphate
    • InChI=1/C30H39O4P/c1-28(2,3)22-10-16-25(17-11-22)32-35(31,33-26-18-12-23(13-19-26)29(4,5)6)34-27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3
    • tri-(p-tert-Butylphenyl)phosphate
    • TRI-(P-TERT-BUTYLPHENYL) PHOSPHATE
    • MFCD00026302
    • tri-p-t-butylphenyl phosphate
    • tris(4-t-butylphenyl) phosphate
    • UNII-X7657453VT
    • C30H39O4P
    • NSC2884
    • CBDivE_000302
    • SCHEMBL190945
    • Tri-(4-tert-butylphenyl) phosphate
    • Tri-(p-tert.-butylphenyl)-phosphat
    • AKOS001591615
    • Tris[4-(tert-butyl)phenyl] Phosphate
    • MSK164559-100A
    • MSK164559-1000A
    • AS-62014
    • SY113838
    • DB-234097
    • CS-0031808
    • NS00007017
    • Phenol,1-dimethylethyl)-, phosphate (3:1)
    • ST45057575
    • A11802
    • F601555
    • 4-(tert-butyl)phenyl di4-(tert-butyl)phenyl phosphate
    • Q27293629
    • Tris(p-tert-butylphenyl) phosphate Solution in Acetonitrile, 1000ug/mL
    • Tris(p-tert-butylphenyl) phosphate Solution in Acetonitrile, 100ug/mL
    • 78-33-1

  • Applications

    Tris(p-t-butylphenyl) phosphate, CAS 78-33-1, is a flame-retardant additive and heat stabilizer used in various polymer formulations; typical applications include: (1) as a flame-retardant additive in plastics (PVC, polyolefins, engineering resins) with thermal stabilization, (2) as a flame-retardant additive in coatings and inks to improve fire performance, (3) in electronics materials and components (enclosures, laminates, cables) to enhance fire safety, (4) as an additive for adhesives and sealants to elevate fire resistance, and (5) as a flame-retardant in polyurethane foams. Regulatory compliance depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.7
    methanol 36.69
    isopropanol 31.95
    water 0.37
    ethyl acetate 172.56
    n-propanol 43.16
    acetone 262.42
    n-butanol 33.15
    acetonitrile 107.48
    DMF 800.34
    toluene 74.25
    isobutanol 32.66
    1,4-dioxane 139.9
    methyl acetate 215.58
    THF 682.14
    2-butanone 201.54
    n-pentanol 28.61
    sec-butanol 33.56
    n-hexane 4.11
    ethylene glycol 9.81
    NMP 889.65
    cyclohexane 4.06
    DMSO 351.21
    n-butyl acetate 122.48
    n-octanol 19.25
    chloroform 1246.88
    n-propyl acetate 103.96
    acetic acid 154.28
    dichloromethane 951.85
    cyclohexanone 231.37
    propylene glycol 22.21
    isopropyl acetate 127.69
    DMAc 863.04
    2-ethoxyethanol 72.07
    isopentanol 29.07
    n-heptane 4.69
    ethyl formate 113.12
    1,2-dichloroethane 443.26
    n-hexanol 32.56
    2-methoxyethanol 123.34
    isobutyl acetate 79.89
    tetrachloromethane 72.83
    n-pentyl acetate 102.41
    transcutol 178.59
    n-heptanol 27.48
    ethylbenzene 26.69
    MIBK 103.07
    2-propoxyethanol 129.63
    tert-butanol 45.21
    MTBE 77.99
    2-butoxyethanol 85.9
    propionic acid 104.5
    o-xylene 38.67
    formic acid 53.81
    diethyl ether 68.52
    m-xylene 47.51
    p-xylene 45.39
    chlorobenzene 198.78
    dimethyl carbonate 237.14
    n-octane 2.28
    formamide 126.04
    cyclopentanone 558.9
    2-pentanone 163.76
    anisole 94.18
    cyclopentyl methyl ether 182.84
    gamma-butyrolactone 761.79
    1-methoxy-2-propanol 130.47
    pyridine 244.16
    3-pentanone 155.67
    furfural 453.8
    n-dodecane 1.76
    diethylene glycol 60.76
    diisopropyl ether 25.97
    tert-amyl alcohol 43.79
    acetylacetone 307.3
    n-hexadecane 2.05
    acetophenone 122.96
    methyl propionate 231.09
    isopentyl acetate 108.37
    trichloroethylene 1352.68
    n-nonanol 20.94
    cyclohexanol 32.25
    benzyl alcohol 55.62
    2-ethylhexanol 25.91
    isooctanol 23.77
    dipropyl ether 57.64
    1,2-dichlorobenzene 217.19
    ethyl lactate 61.09
    propylene carbonate 344.04
    n-methylformamide 260.18
    2-pentanol 25.68
    n-pentane 3.52
    1-propoxy-2-propanol 97.6
    1-methoxy-2-propyl acetate 199.31
    2-(2-methoxypropoxy) propanol 83.02
    mesitylene 25.37
    ε-caprolactone 241.61
    p-cymene 25.03
    epichlorohydrin 833.52
    1,1,1-trichloroethane 484.15
    2-aminoethanol 28.85
    morpholine-4-carbaldehyde 474.04
    sulfolane 807.34
    2,2,4-trimethylpentane 3.87
    2-methyltetrahydrofuran 245.03
    n-hexyl acetate 94.92
    isooctane 2.39
    2-(2-butoxyethoxy)ethanol 88.98
    sec-butyl acetate 77.72
    tert-butyl acetate 146.3
    decalin 3.78
    glycerin 35.02
    diglyme 202.15
    acrylic acid 117.34
    isopropyl myristate 35.16
    n-butyric acid 117.03
    acetyl acetate 166.24
    di(2-ethylhexyl) phthalate 44.29
    ethyl propionate 110.41
    nitromethane 539.84
    1,2-diethoxyethane 92.9
    benzonitrile 97.21
    trioctyl phosphate 29.52
    1-bromopropane 147.98
    gamma-valerolactone 574.93
    n-decanol 14.26
    triethyl phosphate 57.88
    4-methyl-2-pentanol 19.64
    propionitrile 93.28
    vinylene carbonate 331.31
    1,1,2-trichlorotrifluoroethane 446.72
    DMS 177.56
    cumene 19.06
    2-octanol 19.0
    2-hexanone 95.9
    octyl acetate 49.52
    limonene 32.54
    1,2-dimethoxyethane 156.01
    ethyl orthosilicate 52.55
    tributyl phosphate 41.0
    diacetone alcohol 123.86
    N,N-dimethylaniline 76.13
    acrylonitrile 162.54
    aniline 84.79
    1,3-propanediol 34.87
    bromobenzene 231.73
    dibromomethane 458.11
    1,1,2,2-tetrachloroethane 940.73
    2-methyl-cyclohexyl acetate 82.82
    tetrabutyl urea 66.81
    diisobutyl methanol 18.96
    2-phenylethanol 64.8
    styrene 38.27
    dioctyl adipate 62.49
    dimethyl sulfate 482.37
    ethyl butyrate 93.04
    methyl lactate 123.85
    butyl lactate 76.2
    diethyl carbonate 70.26
    propanediol butyl ether 53.18
    triethyl orthoformate 74.28
    p-tert-butyltoluene 27.47
    methyl 4-tert-butylbenzoate 129.15
    morpholine 185.37
    tert-butylamine 25.72
    n-dodecanol 10.05
    dimethoxymethane 385.4
    ethylene carbonate 227.28
    cyrene 119.67
    2-ethoxyethyl acetate 170.94
    2-ethylhexyl acetate 91.61
    1,2,4-trichlorobenzene 285.0
    4-methylpyridine 231.31
    dibutyl ether 30.63
    2,6-dimethyl-4-heptanol 18.96
    DEF 223.72
    dimethyl isosorbide 265.34
    tetrachloroethylene 430.25
    eugenol 101.0
    triacetin 150.15
    span 80 67.5
    1,4-butanediol 15.47
    1,1-dichloroethane 424.41
    2-methyl-1-pentanol 26.41
    methyl formate 234.72
    2-methyl-1-butanol 31.15
    n-decane 3.21
    butyronitrile 67.9
    3,7-dimethyl-1-octanol 20.59
    1-chlorooctane 19.53
    1-chlorotetradecane 7.23
    n-nonane 2.86
    undecane 2.29
    tert-butylcyclohexane 4.31
    cyclooctane 1.99
    cyclopentanol 71.16
    tetrahydropyran 120.67
    tert-amyl methyl ether 70.47
    2,5,8-trioxanonane 127.08
    1-hexene 17.17
    2-isopropoxyethanol 56.39
    2,2,2-trifluoroethanol 108.0
    methyl butyrate 133.39

    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