Tributylphosphine

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  • Identifiers

    CAS number
    998-40-3

    Molecular formula
    C12H27P

    SMILES
    CCCCP(CCCC)CCCC

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fishy 55.02%
    Cheesy 52.48%
    Ripe 39.67%
    Oily 36.47%
    Fresh 32.31%
    Animal 26.86%
    Musty 25.76%
    Sweet 25.75%
    Mint 24.12%
    Fatty 23.85%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    Molecular weight
    202.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    244°C

    Flash point est.
    98.65 ˚C

  • Synonyms

    • Tributylphosphine
    • Tributylphosphane
    • Tri-n-butylphosphine
    • 998-40-3
    • Phosphine, tributyl-
    • Tris(butyl)phosphine
    • tributyl phosphine
    • Tributylfosfin
    • Tri-n-butyl phosphine
    • Tributylphosphorus
    • tributyl-phosphane
    • UNII-0O52FJR7WN
    • EINECS 213-651-2
    • 0O52FJR7WN
    • MFCD00009462
    • NSC 91700
    • BRN 1738261
    • DTXSID9046998
    • AI3-28071
    • PBu(n)3
    • NSC-91700
    • Tributylphosphane [UN3254] [Spontaneously combustible]
    • (n-C4H9)3P
    • DTXCID7026998
    • EC 213-651-2
    • Tributylfosfin [Czech]
    • phosphine, tributyl
    • UN3254
    • Tributyl phosphine (TBP)
    • Tributylphosphane (UN3254) (Spontaneously combustible)
    • tributyiphophine
    • tributylphoshine
    • tributylphospine
    • Tribuylphosphine
    • Trinbutylphosphine
    • tri-butylphosphine
    • tributy-lphosphine
    • Tributyl-phosphine
    • tri-n-butylphosphin
    • nBu3P
    • tri n-butylphosphine
    • Tri-n-butylphosphane
    • tri-n-butyl phosphin
    • tri n-butyl phosphine
    • tri(n-butyl)phosphine
    • tri-n-butyl-phosphine
    • Bu3P
    • PBu3
    • n-Bu3P
    • tris n-butyl phosphine
    • tri-(n-butyl)phosphine
    • P(nBu)3
    • (n-Bu)3P
    • SCHEMBL6033
    • (Bu)3P
    • P(Bu)3
    • NCIOpen2_005716
    • Tri-n-butylphosphine, 97%
    • Tri-n-butylphosphine, 99%
    • P(N-BU)3
    • SCHEMBL3173609
    • CHEMBL3185473
    • BCP22498
    • NSC91700
    • Tox21_301600
    • AKOS009128712
    • NCGC00256212-01
    • BP-10599
    • CAS-998-40-3
    • DB-009882
    • DB-222255
    • NS00009653
    • T0361
    • EN300-27824
    • A22090
    • Tris(butyl)phosphine; Tri-n-butylphosphine; TBUP
    • Q7840573
    • F0001-2344
    • Tributylphosphine, >=93.5% (Tri-N-butylphosphine, GC)

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1415.15
    methanol 621.09
    isopropanol 1872.98
    water 0.03
    ethyl acetate 2746.74
    n-propanol 2223.73
    acetone 3273.39
    n-butanol 2541.77
    acetonitrile 1220.59
    DMF 1832.29
    toluene 2454.37
    isobutanol 2031.02
    1,4-dioxane 4624.02
    methyl acetate 1862.92
    THF 9424.94
    2-butanone 3211.66
    n-pentanol 1553.21
    sec-butanol 2329.65
    n-hexane 3764.87
    ethylene glycol 105.12
    NMP 2346.41
    cyclohexane 8495.08
    DMSO 2044.08
    n-butyl acetate 5590.11
    n-octanol 1478.79
    chloroform 6118.63
    n-propyl acetate 2277.66
    acetic acid 715.88
    dichloromethane 5185.18
    cyclohexanone 6250.92
    propylene glycol 296.84
    isopropyl acetate 2151.22
    DMAc 1425.7
    2-ethoxyethanol 1160.94
    isopentanol 2379.72
    n-heptane 6254.36
    ethyl formate 1283.93
    1,2-dichloroethane 4330.78
    n-hexanol 3687.22
    2-methoxyethanol 1574.22
    isobutyl acetate 1600.49
    tetrachloromethane 2227.72
    n-pentyl acetate 2524.37
    transcutol 3224.63
    n-heptanol 1720.97
    ethylbenzene 1141.4
    MIBK 1996.33
    2-propoxyethanol 2709.37
    tert-butanol 2859.65
    MTBE 4273.38
    2-butoxyethanol 1713.15
    propionic acid 1076.41
    o-xylene 1337.73
    formic acid 58.2
    diethyl ether 5625.47
    m-xylene 1377.97
    p-xylene 1372.09
    chlorobenzene 2152.68
    dimethyl carbonate 483.55
    n-octane 1580.29
    formamide 126.37
    cyclopentanone 5716.98
    2-pentanone 3353.8
    anisole 1251.97
    cyclopentyl methyl ether 5811.85
    gamma-butyrolactone 4045.08
    1-methoxy-2-propanol 1522.04
    pyridine 3510.73
    3-pentanone 2758.21
    furfural 2021.46
    n-dodecane 539.04
    diethylene glycol 771.75
    diisopropyl ether 2358.35
    tert-amyl alcohol 2515.3
    acetylacetone 1938.64
    n-hexadecane 640.22
    acetophenone 1008.93
    methyl propionate 1711.89
    isopentyl acetate 3925.5
    trichloroethylene 4881.66
    n-nonanol 1319.46
    cyclohexanol 3695.28
    benzyl alcohol 718.53
    2-ethylhexanol 3269.58
    isooctanol 1530.47
    dipropyl ether 8316.66
    1,2-dichlorobenzene 1718.97
    ethyl lactate 536.94
    propylene carbonate 2101.32
    n-methylformamide 701.94
    2-pentanol 2211.93
    n-pentane 3300.08
    1-propoxy-2-propanol 3275.19
    1-methoxy-2-propyl acetate 2237.29
    2-(2-methoxypropoxy) propanol 777.3
    mesitylene 1065.51
    ε-caprolactone 3902.24
    p-cymene 1415.42
    epichlorohydrin 4090.48
    1,1,1-trichloroethane 4896.58
    2-aminoethanol 353.63
    morpholine-4-carbaldehyde 1853.88
    sulfolane 3734.45
    2,2,4-trimethylpentane 1026.11
    2-methyltetrahydrofuran 7903.48
    n-hexyl acetate 2562.99
    isooctane 865.63
    2-(2-butoxyethoxy)ethanol 1347.18
    sec-butyl acetate 1608.51
    tert-butyl acetate 2326.49
    decalin 1475.44
    glycerin 285.88
    diglyme 2818.24
    acrylic acid 561.16
    isopropyl myristate 1151.94
    n-butyric acid 2351.27
    acetyl acetate 1244.47
    di(2-ethylhexyl) phthalate 555.79
    ethyl propionate 1804.94
    nitromethane 1133.67
    1,2-diethoxyethane 3801.31
    benzonitrile 1358.12
    trioctyl phosphate 616.02
    1-bromopropane 5545.78
    gamma-valerolactone 4118.84
    n-decanol 937.71
    triethyl phosphate 1084.49
    4-methyl-2-pentanol 1294.71
    propionitrile 2154.6
    vinylene carbonate 1445.21
    1,1,2-trichlorotrifluoroethane 1741.69
    DMS 926.47
    cumene 814.35
    2-octanol 1383.97
    2-hexanone 2506.91
    octyl acetate 1211.06
    limonene 3139.5
    1,2-dimethoxyethane 3035.84
    ethyl orthosilicate 1261.24
    tributyl phosphate 786.97
    diacetone alcohol 1517.49
    N,N-dimethylaniline 900.23
    acrylonitrile 1365.02
    aniline 1468.76
    1,3-propanediol 752.5
    bromobenzene 2775.91
    dibromomethane 5064.07
    1,1,2,2-tetrachloroethane 5036.6
    2-methyl-cyclohexyl acetate 1942.47
    tetrabutyl urea 1020.67
    diisobutyl methanol 2174.38
    2-phenylethanol 1133.34
    styrene 1359.65
    dioctyl adipate 1119.0
    dimethyl sulfate 619.25
    ethyl butyrate 3475.38
    methyl lactate 475.87
    butyl lactate 1238.62
    diethyl carbonate 1722.22
    propanediol butyl ether 931.22
    triethyl orthoformate 2546.07
    p-tert-butyltoluene 1441.97
    methyl 4-tert-butylbenzoate 1003.91
    morpholine 5184.75
    tert-butylamine 2746.25
    n-dodecanol 741.71
    dimethoxymethane 1776.28
    ethylene carbonate 1725.38
    cyrene 705.81
    2-ethoxyethyl acetate 1724.66
    2-ethylhexyl acetate 3630.94
    1,2,4-trichlorobenzene 1683.83
    4-methylpyridine 3179.6
    dibutyl ether 4554.72
    2,6-dimethyl-4-heptanol 2174.38
    DEF 2695.8
    dimethyl isosorbide 1679.28
    tetrachloroethylene 3297.74
    eugenol 741.26
    triacetin 1190.85
    span 80 1072.37
    1,4-butanediol 310.95
    1,1-dichloroethane 4463.18
    2-methyl-1-pentanol 1469.62
    methyl formate 545.2
    2-methyl-1-butanol 2131.17
    n-decane 1168.86
    butyronitrile 3044.59
    3,7-dimethyl-1-octanol 1660.28
    1-chlorooctane 2158.62
    1-chlorotetradecane 757.1
    n-nonane 1449.95
    undecane 749.8
    tert-butylcyclohexane 1185.69
    cyclooctane 2911.58
    cyclopentanol 3323.96
    tetrahydropyran 9891.77
    tert-amyl methyl ether 3143.22
    2,5,8-trioxanonane 1384.18
    1-hexene 4281.55
    2-isopropoxyethanol 1056.1
    2,2,2-trifluoroethanol 193.05
    methyl butyrate 2391.9

    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