Tris[2-[[2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]ethyl]amine

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  • Identifiers

    CAS number
    80410-33-9

    Molecular formula
    C90H132NO9P3

    SMILES
    CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(OC3=C2C=C(C=C3C(C)(C)C)C(C)(C)C)OCCN(CCOP4OC5=C(C=C(C=C5C(C)(C)C)C(C)(C)C)C6=C(O4)C(=CC(=C6)C(C)(C)C)C(C)(C)C)CCOP7OC8=C(C=C(C=C8C(C)(C)C)C(C)(C)C)C9=C(O7)C(=CC(=C9)C(C)(C)C)C(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 50.51%
    Green 38.36%
    Musk 37.23%
    Floral 36.91%
    Dry 36.12%
    Fruity 35.69%
    Fatty 34.09%
    Vetiver 32.94%
    Amber 32.66%
    Animal 27.68%

     

    Flavor
    Bitter 33.87%
    Camphor 25.51%
    Mild 24.18%
    Musty 24.03%
    Bland 21.69%
    Green pepper 20.71%
    Carrot 20.32%
    Earth 20.23%
    Creosote 19.29%
    Syrup 19.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    29.9

    pKa est.
    7.3 (neutral)

    Molecular weight
    1464.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    2302°C

    Flash point

    • 298.39 ˚C est.

  • Synonyms

    • 80410-33-9
    • Irgafos 12
    • LJ3N6AAU2G
    • Ethanamine, 2-[[2,4,8,10-tetrakis(1,1-dimethylethyl)dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]-N,N-bis[2-[[2,4,8,10-tetrakis(1,1-dimethylethyl)dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]ethyl]-
    • DTXSID90888576
    • Ethanamine, 2-((2,4,8,10-tetrakis(1,1-dimethylethyl)dibenzo(d,f)(1,3,2)dioxaphosphepin-6-yl)oxy)-N,N-bis(2-((2,4,8,10-tetrakis(1,1-dimethylethyl)dibenzo(d,f)(1,3,2)dioxaphosphepin-6-yl)oxy)ethyl)-
    • 2,2',2''-NITRILO(TRIETHYL TRIS(3,3',5,5'-TETRA-TERT-BUTYL-1,1'-BIPHENYL-2,2'-DIYL) PHOSPHITE)
    • 2-((2,4,8,10-TETRAKIS(1,1-DIMETHYLETHYL)DIBENZO(D,F)(1,3,2)DIOXAPHOSPHEPIN-6-YL)OXY)-N,N-BIS(2-((2,4,8,10-TETRAKIS(1,1-DIMETHYLETHYL)DIBENZO(D,F)(1,3,2)DIOXAPHOSPHEPIN-6-YL)OXY)ETHYL)ETHANAMINE
    • 2-[[2,4,8,10-Tetrakis(1,1-dimethylethyl)dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]-N,N-bis[2-[[2,4,8,10-tetrakis(1,1-dimethylethyl)dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]ethyl]ethanamine
    • RefChem:900164
    • DTXCID901027852
    • 279-459-6
    • Tris(2-((2,4,8,10-tetra-tert-butyldibenzo(d,f)(1,3,2)dioxaphosphepin-6-yl)oxy)ethyl)amine
    • Tris[2-[[2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]ethyl]amine
    • Tris(2-((2,4,8,10-tetra-tert- butyldibenzo(d,f)(1,3,2)dioxaphosphepin-6-yl)oxy)ethyl)amine
    • 2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-N,N-bis[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]ethanamine
    • EINECS 279-459-6
    • UNII-LJ3N6AAU2G
    • SCHEMBL250134
    • SCHEMBL29357535
    • NS00060233
    • Q27283019
    • 2-[(2,4,8,10-Tetra-tert-butyl-6H-dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)oxy]-N,N-bis{2-[(2,4,8,10-tetra-tert-butyl-6H-dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)oxy]ethyl}ethan-1-amine
    • 2-[[2,4,8,10-tetrakis(1,1-dimethylethyl)dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]-N,N-bis[2-[[2,4,8,10-tetrakis(1,1-dimethylethyl)dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]-ethyl]ethanamine
    • 80410-33-9

  • Applications

    Chemical name: Tris[2-[[2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]ethyl]amine; CAS 80410-33-9. It is primarily used as a tripodal phosphorus-based ligand for transition-metal catalysts in enantioselective synthesis, supporting reactions such as hydrogenation and cross-coupling and helping to control stereochemistry and catalyst performance. It also serves as a ligand in olefin polymerization catalysts, enabling tuning of polymer microstructure and properties. In catalytic formulations it can act as a stabilizer or chelating component, enhancing catalyst longevity and selectivity. In research and development, it is used as a precursor or scaffold for designing more complex chiral ligands and catalyst systems, with potential applications in fine chemicals and pharmaceutical intermediate production. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.44
    methanol 10.93
    isopropanol 7.03
    water 0.66
    ethyl acetate 12.83
    n-propanol 11.85
    acetone 23.12
    n-butanol 7.88
    acetonitrile 8.29
    DMF 98.21
    toluene 10.61
    isobutanol 8.26
    1,4-dioxane 17.11
    methyl acetate 22.02
    THF 68.09
    2-butanone 25.2
    n-pentanol 10.25
    sec-butanol 8.38
    n-hexane 0.72
    ethylene glycol 6.95
    NMP 229.71
    cyclohexane 0.64
    DMSO 62.04
    n-butyl acetate 23.57
    n-octanol 5.97
    chloroform 170.83
    n-propyl acetate 21.94
    acetic acid 55.1
    dichloromethane 116.78
    cyclohexanone 37.39
    propylene glycol 18.09
    isopropyl acetate 10.23
    DMAc 118.84
    2-ethoxyethanol 30.39
    isopentanol 5.9
    n-heptane 0.9
    ethyl formate 20.95
    1,2-dichloroethane 36.11
    n-hexanol 8.45
    2-methoxyethanol 33.33
    isobutyl acetate 17.5
    tetrachloromethane 13.16
    n-pentyl acetate 27.54
    transcutol 55.45
    n-heptanol 9.08
    ethylbenzene 5.89
    MIBK 10.46
    2-propoxyethanol 43.38
    tert-butanol 7.21
    MTBE 5.09
    2-butoxyethanol 37.14
    propionic acid 35.11
    o-xylene 6.66
    formic acid 32.59
    diethyl ether 4.5
    m-xylene 7.92
    p-xylene 10.38
    chlorobenzene 22.7
    dimethyl carbonate 31.23
    n-octane 0.52
    formamide 40.63
    cyclopentanone 91.82
    2-pentanone 16.97
    anisole 14.09
    cyclopentyl methyl ether 21.71
    gamma-butyrolactone 143.93
    1-methoxy-2-propanol 34.93
    pyridine 46.89
    3-pentanone 14.19
    furfural 131.76
    n-dodecane 0.31
    diethylene glycol 25.11
    diisopropyl ether 1.51
    tert-amyl alcohol 8.6
    acetylacetone 28.24
    n-hexadecane 0.34
    acetophenone 30.98
    methyl propionate 25.13
    isopentyl acetate 19.22
    trichloroethylene 170.1
    n-nonanol 6.06
    cyclohexanol 7.76
    benzyl alcohol 24.28
    2-ethylhexanol 6.27
    isooctanol 7.52
    dipropyl ether 8.32
    1,2-dichlorobenzene 29.1
    ethyl lactate 26.97
    propylene carbonate 76.52
    n-methylformamide 49.29
    2-pentanol 5.45
    n-pentane 0.54
    1-propoxy-2-propanol 38.21
    1-methoxy-2-propyl acetate 36.77
    2-(2-methoxypropoxy) propanol 30.62
    mesitylene 4.04
    ε-caprolactone 47.89
    p-cymene 5.57
    epichlorohydrin 111.7
    1,1,1-trichloroethane 38.3
    2-aminoethanol 16.26
    morpholine-4-carbaldehyde 109.18
    sulfolane 213.64
    2,2,4-trimethylpentane 0.47
    2-methyltetrahydrofuran 27.49
    n-hexyl acetate 19.22
    isooctane 0.24
    2-(2-butoxyethoxy)ethanol 32.89
    sec-butyl acetate 11.77
    tert-butyl acetate 11.45
    decalin 0.65
    glycerin 29.28
    diglyme 51.54
    acrylic acid 52.08
    isopropyl myristate 5.3
    n-butyric acid 29.77
    acetyl acetate 13.85
    di(2-ethylhexyl) phthalate 16.02
    ethyl propionate 15.11
    nitromethane 82.53
    1,2-diethoxyethane 15.27
    benzonitrile 22.2
    trioctyl phosphate 8.87
    1-bromopropane 12.89
    gamma-valerolactone 137.91
    n-decanol 3.97
    triethyl phosphate 12.47
    4-methyl-2-pentanol 3.6
    propionitrile 10.15
    vinylene carbonate 82.85
    1,1,2-trichlorotrifluoroethane 172.27
    DMS 30.82
    cumene 4.67
    2-octanol 6.17
    2-hexanone 20.59
    octyl acetate 9.09
    limonene 5.65
    1,2-dimethoxyethane 29.33
    ethyl orthosilicate 11.3
    tributyl phosphate 10.63
    diacetone alcohol 23.46
    N,N-dimethylaniline 15.22
    acrylonitrile 21.97
    aniline 17.27
    1,3-propanediol 14.1
    bromobenzene 24.16
    dibromomethane 52.69
    1,1,2,2-tetrachloroethane 119.48
    2-methyl-cyclohexyl acetate 19.42
    tetrabutyl urea 16.63
    diisobutyl methanol 3.32
    2-phenylethanol 22.26
    styrene 7.03
    dioctyl adipate 13.63
    dimethyl sulfate 80.31
    ethyl butyrate 16.12
    methyl lactate 40.59
    butyl lactate 43.81
    diethyl carbonate 12.32
    propanediol butyl ether 40.23
    triethyl orthoformate 16.05
    p-tert-butyltoluene 5.66
    methyl 4-tert-butylbenzoate 38.99
    morpholine 29.88
    tert-butylamine 3.26
    n-dodecanol 2.59
    dimethoxymethane 35.88
    ethylene carbonate 46.21
    cyrene 68.21
    2-ethoxyethyl acetate 42.64
    2-ethylhexyl acetate 16.82
    1,2,4-trichlorobenzene 49.26
    4-methylpyridine 37.25
    dibutyl ether 4.64
    2,6-dimethyl-4-heptanol 3.32
    DEF 26.25
    dimethyl isosorbide 77.45
    tetrachloroethylene 61.4
    eugenol 45.69
    triacetin 42.46
    span 80 33.66
    1,4-butanediol 10.06
    1,1-dichloroethane 32.49
    2-methyl-1-pentanol 8.52
    methyl formate 48.36
    2-methyl-1-butanol 7.56
    n-decane 0.6
    butyronitrile 7.89
    3,7-dimethyl-1-octanol 4.87
    1-chlorooctane 3.38
    1-chlorotetradecane 1.1
    n-nonane 0.55
    undecane 0.4
    tert-butylcyclohexane 0.67
    cyclooctane 0.33
    cyclopentanol 18.63
    tetrahydropyran 13.53
    tert-amyl methyl ether 5.91
    2,5,8-trioxanonane 33.18
    1-hexene 3.16
    2-isopropoxyethanol 22.56
    2,2,2-trifluoroethanol 42.39
    methyl butyrate 22.57

    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