Tris(2-ethylhexyl) phosphate

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  • Identifiers

    CAS number
    78-42-2

    Molecular formula
    C24H51O4P

    SMILES
    CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 38.9%
    Oily 37.86%
    Fruity 35.17%
    Mint 29.88%
    Woody 28.88%
    Fresh 28.46%
    Floral 28.31%
    Odorless 23.52%
    Waxy 23.51%
    Green 23.18%

     

    Flavor
    Waxy 31.53%
    Mild 31.27%
    Green 30.26%
    Oily 28.41%
    Bland 25.19%
    Fatty 23.92%
    Herbal 23.75%
    Slightly waxy 21.06%
    Beer 20.96%
    Rose acetate 20.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.9

    pKa est.
    7.14 (neutral)

    Molecular weight
    434.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -94 °F (NTP, 1992)
    • -74 °C

    Boiling point

    • 374 to 451 °F at 760 mmHg (decomposes) (NTP, 1992)
    • at 0.7kPa: 220 °C

    Flash point

    • 194.9 ˚C est.
    • 305 °F (NTP, 1992)
    • 170 °C

    Solubility expt.

    • less than 1 mg/mL at 64 °F (NTP, 1992)
    • Solubility in water at 20 °C: none

  • Synonyms

    • Tris(2-ethylhexyl) phosphate
    • 78-42-2
    • Tris(2-ethylhexyl)phosphate
    • Tri(2-ethylhexyl) phosphate
    • Phosphoric acid, tris(2-ethylhexyl) ester
    • 2-Ethyl-1-hexanol phosphate
    • TEHP
    • DTXSID0021414
    • BQC0BKB72S
    • NSC-407921
    • DTXCID801414
    • RefChem:191857
    • 201-116-6
    • MFCD00009491
    • Tri(ethylhexyl) phosphate
    • Tris-(2-ethylhexyl)fosfat
    • NSC 407921
    • TOF
    • Phosphoric Acid Tris(2-ethylhexyl) Ester
    • Tris(2-ethylhexy)phosphate
    • CAS-78-42-2
    • CCRIS 615
    • HSDB 2562
    • Tris-(2-ethylhexyl)fosfat [Czech]
    • EINECS 201-116-6
    • UNII-BQC0BKB72S
    • Tris-2(2-ethylhexyl)fosfat [Czech]
    • BRN 1715839
    • AI3-07852
    • Amgard TOF
    • 'Trioctyl' phosphate
    • 1-Hexanol, phosphate
    • Phosphoric acid, tris(2-ethylhexyl)ester
    • Trioctyl Phosphate (TOP)
    • Tris(2-ethylhexl)phosphate
    • EC 201-116-6
    • SCHEMBL35485
    • tris-(2-ethylhexyl)phosphate
    • MLS002415769
    • Phosphoric Acid Trioctyl Ester
    • orb3024971
    • CHEMBL1562290
    • 2-Ethylhexanol phosphate (3:1)
    • CHEBI:181994
    • HMS3039O17
    • Tox21_201369
    • Tox21_300321
    • NSC407921
    • Tris(2-ethylhexyl) phosphate, 97%
    • AKOS015843194
    • CS-W009670
    • HY-W008954
    • NCGC00091821-01
    • NCGC00091821-02
    • NCGC00091821-03
    • NCGC00254160-01
    • NCGC00258921-01
    • SMR001370923
    • SY048150
    • NS00002729
    • P1022
    • TRIS(2-ETHYLHEXYL) PHOSPHATE [HSDB]
    • WLN: 4Y2&1OPO&O1Y4&2&O1Y4&2
    • F544773
    • Q2454094
    • Tris(2-ethylhexyl) phosphate, Selectophore(TM), >=99.0%
    • InChI=1/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H
    • 78-42-2

  • Applications

    Tris(2-ethylhexyl) phosphate (CAS 78-42-2) is primarily used as a phosphorus-containing plasticizer for PVC and other polymers, improving flexibility in films and cables. It also serves as a processing aid and solvent in coatings, inks, and adhesives formulations, helping to achieve suitable viscosity and film formation. In polymer formulations, it can function as a heat stabilizer and as a flame-retardant additive, contributing to improved fire performance. It is also used as an intermediate in the synthesis of other organophosphorus compounds and may act as a lubricity-enhancing additive in industrial lubricants or metalworking fluids. These roles span plastics, coatings, and specialty polymers, with application choices driven by formulation requirements and regional regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1269.41
    methanol 1158.08
    isopropanol 1269.37
    water 6.84
    ethyl acetate 4360.45
    n-propanol 1464.44
    acetone 4276.35
    n-butanol 1374.67
    acetonitrile 2154.21
    DMF 6107.25
    toluene 3039.84
    isobutanol 1367.73
    1,4-dioxane 4250.51
    methyl acetate 3774.13
    THF 7690.11
    2-butanone 4402.77
    n-pentanol 1023.62
    sec-butanol 1602.84
    n-hexane 544.32
    ethylene glycol 178.1
    NMP 10360.76
    cyclohexane 1952.97
    DMSO 3936.6
    n-butyl acetate 3571.12
    n-octanol 1078.76
    chloroform 12222.08
    n-propyl acetate 3043.96
    acetic acid 2298.12
    dichloromethane 12685.19
    cyclohexanone 8734.48
    propylene glycol 366.08
    isopropyl acetate 3526.99
    DMAc 7859.64
    2-ethoxyethanol 1544.74
    isopentanol 1456.02
    n-heptane 462.15
    ethyl formate 2235.66
    1,2-dichloroethane 8984.66
    n-hexanol 1051.65
    2-methoxyethanol 2085.32
    isobutyl acetate 2083.07
    tetrachloromethane 2371.13
    n-pentyl acetate 4832.86
    transcutol 4244.49
    n-heptanol 1155.42
    ethylbenzene 1346.24
    MIBK 2810.45
    2-propoxyethanol 1738.94
    tert-butanol 1558.34
    MTBE 2964.22
    2-butoxyethanol 2130.32
    propionic acid 2258.27
    o-xylene 2179.26
    formic acid 654.81
    diethyl ether 2753.05
    m-xylene 1785.24
    p-xylene 2093.07
    chlorobenzene 4508.13
    dimethyl carbonate 1995.63
    n-octane 278.95
    formamide 1552.5
    cyclopentanone 8775.44
    2-pentanone 3917.99
    anisole 2119.76
    cyclopentyl methyl ether 5136.76
    gamma-butyrolactone 8845.21
    1-methoxy-2-propanol 1992.51
    pyridine 5906.58
    3-pentanone 3737.65
    furfural 5658.15
    n-dodecane 144.71
    diethylene glycol 784.97
    diisopropyl ether 1397.09
    tert-amyl alcohol 1895.54
    acetylacetone 4810.33
    n-hexadecane 173.03
    acetophenone 2754.52
    methyl propionate 3501.32
    isopentyl acetate 3439.72
    trichloroethylene 14526.81
    n-nonanol 994.12
    cyclohexanol 2802.93
    benzyl alcohol 1399.19
    2-ethylhexanol 953.62
    isooctanol 1047.11
    dipropyl ether 1618.5
    1,2-dichlorobenzene 4604.97
    ethyl lactate 1069.23
    propylene carbonate 5388.48
    n-methylformamide 2819.23
    2-pentanol 1352.98
    n-pentane 538.73
    1-propoxy-2-propanol 1632.63
    1-methoxy-2-propyl acetate 2916.56
    2-(2-methoxypropoxy) propanol 1281.13
    mesitylene 1258.91
    ε-caprolactone 7365.01
    p-cymene 870.63
    epichlorohydrin 9116.44
    1,1,1-trichloroethane 8424.84
    2-aminoethanol 556.2
    morpholine-4-carbaldehyde 6103.01
    sulfolane 9782.96
    2,2,4-trimethylpentane 441.47
    2-methyltetrahydrofuran 6434.25
    n-hexyl acetate 4148.23
    isooctane 239.28
    2-(2-butoxyethoxy)ethanol 1788.22
    sec-butyl acetate 2352.84
    tert-butyl acetate 3796.01
    decalin 604.26
    glycerin 509.55
    diglyme 4402.24
    acrylic acid 1884.69
    isopropyl myristate 1219.99
    n-butyric acid 3409.84
    acetyl acetate 3342.78
    di(2-ethylhexyl) phthalate 963.55
    ethyl propionate 2710.17
    nitromethane 5595.59
    1,2-diethoxyethane 2852.26
    benzonitrile 2551.27
    trioctyl phosphate 819.99
    1-bromopropane 4851.6
    gamma-valerolactone 9549.08
    n-decanol 635.8
    triethyl phosphate 1166.03
    4-methyl-2-pentanol 917.65
    propionitrile 2174.79
    vinylene carbonate 4586.68
    1,1,2-trichlorotrifluoroethane 4340.65
    DMS 3140.94
    cumene 870.05
    2-octanol 1122.63
    2-hexanone 2469.15
    octyl acetate 1620.94
    limonene 1655.97
    1,2-dimethoxyethane 3259.57
    ethyl orthosilicate 1144.92
    tributyl phosphate 1020.53
    diacetone alcohol 2429.2
    N,N-dimethylaniline 1655.0
    acrylonitrile 2480.01
    aniline 2312.02
    1,3-propanediol 957.99
    bromobenzene 5554.51
    dibromomethane 8643.17
    1,1,2,2-tetrachloroethane 12297.71
    2-methyl-cyclohexyl acetate 1971.82
    tetrabutyl urea 1442.34
    diisobutyl methanol 710.28
    2-phenylethanol 1321.89
    styrene 1731.95
    dioctyl adipate 1593.64
    dimethyl sulfate 3320.56
    ethyl butyrate 2439.97
    methyl lactate 1462.99
    butyl lactate 2456.06
    diethyl carbonate 1514.59
    propanediol butyl ether 1481.48
    triethyl orthoformate 1721.86
    p-tert-butyltoluene 832.9
    methyl 4-tert-butylbenzoate 2412.69
    morpholine 5226.74
    tert-butylamine 1218.69
    n-dodecanol 460.76
    dimethoxymethane 3459.35
    ethylene carbonate 4466.24
    cyrene 1430.09
    2-ethoxyethyl acetate 4697.27
    2-ethylhexyl acetate 2881.87
    1,2,4-trichlorobenzene 5078.5
    4-methylpyridine 5763.87
    dibutyl ether 1815.4
    2,6-dimethyl-4-heptanol 710.28
    DEF 5569.3
    dimethyl isosorbide 2516.05
    tetrachloroethylene 7344.07
    eugenol 1760.31
    triacetin 3164.8
    span 80 1366.61
    1,4-butanediol 432.47
    1,1-dichloroethane 7646.15
    2-methyl-1-pentanol 1085.19
    methyl formate 2037.85
    2-methyl-1-butanol 1483.66
    n-decane 301.92
    butyronitrile 2292.96
    3,7-dimethyl-1-octanol 1050.69
    1-chlorooctane 1419.36
    1-chlorotetradecane 443.86
    n-nonane 308.09
    undecane 193.73
    tert-butylcyclohexane 435.22
    cyclooctane 642.02
    cyclopentanol 2789.15
    tetrahydropyran 5906.22
    tert-amyl methyl ether 2661.86
    2,5,8-trioxanonane 2088.99
    1-hexene 1265.14
    2-isopropoxyethanol 1224.52
    2,2,2-trifluoroethanol 1381.76
    methyl butyrate 3616.31

    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