Phenylphosphine

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  • Identifiers

    CAS number
    638-21-1

    Molecular formula
    C6H7P

    SMILES
    C1=CC=C(C=C1)P

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 57.05%
    Sweet 55.47%
    Animal 36.94%
    Phenolic 35.6%
    Woody 32.87%
    Rose 32.73%
    Honey 28.34%
    Musty 28.22%
    Oily 27.29%
    Fishy 26.93%

     

    Flavor
    Sweet 38.78%
    Pungent 28.29%
    Plastic 28.14%
    Floral 28.08%
    Phenolic 26.65%
    Garlic 24.65%
    Gasoline 24.36%
    Penetrating 23.67%
    Tar 23.58%
    Fishy 23.01%

     

    Odor impact est.
    High

    Odor threshold

    • Concentrations of 0.57 ppm (2.6 mg/cu m) were readily detected by an odor panel; the odor was experienced as obnoxious. As lower concentration were not evaluated, an odor threshold was not established.

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.32 (neutral)

    Molecular weight
    110.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 320 to 322 °F at 760 mmHg (NTP, 1992)
    • 160.5 °C
    • 160 °C
    • 320 °F

    Flash point

    • -36.94 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • Sol in alkali; very sol in alcohol and ether
    • Insoluble in water
    • Solubility in water: none
    • Insoluble

  • Synonyms

    • PHENYLPHOSPHINE
    • 638-21-1
    • Phenyl phosphine
    • Phosphine, phenyl-
    • phenylphosphane
    • Fenylfosfin
    • HSDB 7199
    • monophenylphosphine
    • EINECS 211-325-4
    • NSC 511703
    • BRN 0741946
    • Phosphine, phenyl-,
    • UNII-856X9KP929
    • 856X9KP929
    • NSC-511703
    • PHENYLPHOSPHINE [HSDB]
    • DTXSID7073224
    • 4-16-00-00948 (Beilstein Handbook Reference)
    • MFCD00002094
    • Fenylfosfin [Czech]
    • 1-phenylphosphane
    • Phenylphosphine #
    • Phosphine, phenyl
    • (mono)phenylphosphine
    • WLN: PHHR
    • Phenylphosphine (ACGIH)
    • SCHEMBL49436
    • SCHEMBL2263783
    • DTXCID5044106
    • BCP22538
    • NSC511703
    • AKOS015890747
    • DB-009796
    • NS00035581
    • Phenylphosphine, 99% (10 wt% in hexanes)
    • Phenylphosphine, ca. 10% weight in hexanes
    • Q7181435
    • 211-325-4

  • Applications

    Phenylphosphine (CAS 638-21-1) is primarily used as a ligand for transition-metal catalysts in homogeneous catalysis, supporting processes such as cross-coupling and hydrogenation. It also serves as a precursor and starting material for the synthesis of secondary phosphines and other organophosphorus ligands and compounds via P–H functionalization. In organophosphorus chemistry and coordination chemistry, it is employed as a reactive phosphorus source for ligand design and catalyst development in both industrial R&D and academic settings. Upon oxidation it forms phenylphosphine oxide and related phosphine oxide derivatives, which themselves can be used as ligands or reagents in phosphorus chemistry. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 420.74
    methanol 341.7
    isopropanol 239.99
    water 1.11
    ethyl acetate 599.94
    n-propanol 354.2
    acetone 411.68
    n-butanol 346.05
    acetonitrile 355.26
    DMF 250.8
    toluene 267.64
    isobutanol 188.73
    1,4-dioxane 978.65
    methyl acetate 428.54
    THF 802.9
    2-butanone 441.65
    n-pentanol 284.74
    sec-butanol 259.97
    n-hexane 149.35
    ethylene glycol 71.09
    NMP 310.43
    cyclohexane 149.46
    DMSO 304.22
    n-butyl acetate 564.77
    n-octanol 141.92
    chloroform 1238.78
    n-propyl acetate 350.48
    acetic acid 319.99
    dichloromethane 989.79
    cyclohexanone 512.8
    propylene glycol 90.46
    isopropyl acetate 274.66
    DMAc 255.58
    2-ethoxyethanol 351.28
    isopentanol 223.79
    n-heptane 175.41
    ethyl formate 262.54
    1,2-dichloroethane 545.75
    n-hexanol 370.07
    2-methoxyethanol 427.88
    isobutyl acetate 203.29
    tetrachloromethane 266.03
    n-pentyl acetate 228.89
    transcutol 1056.19
    n-heptanol 162.11
    ethylbenzene 119.75
    MIBK 186.92
    2-propoxyethanol 492.47
    tert-butanol 247.74
    MTBE 320.38
    2-butoxyethanol 257.57
    propionic acid 277.0
    o-xylene 134.3
    formic acid 91.15
    diethyl ether 708.78
    m-xylene 145.77
    p-xylene 129.87
    chlorobenzene 278.07
    dimethyl carbonate 106.56
    n-octane 48.85
    formamide 141.39
    cyclopentanone 468.77
    2-pentanone 389.95
    anisole 263.19
    cyclopentyl methyl ether 403.32
    gamma-butyrolactone 457.56
    1-methoxy-2-propanol 303.47
    pyridine 562.38
    3-pentanone 327.76
    furfural 429.39
    n-dodecane 26.12
    diethylene glycol 275.66
    diisopropyl ether 182.64
    tert-amyl alcohol 236.9
    acetylacetone 312.28
    n-hexadecane 28.92
    acetophenone 190.08
    methyl propionate 326.98
    isopentyl acetate 335.03
    trichloroethylene 849.37
    n-nonanol 134.2
    cyclohexanol 240.78
    benzyl alcohol 165.96
    2-ethylhexanol 251.88
    isooctanol 127.24
    dipropyl ether 501.1
    1,2-dichlorobenzene 217.22
    ethyl lactate 96.31
    propylene carbonate 251.09
    n-methylformamide 172.65
    2-pentanol 230.74
    n-pentane 135.6
    1-propoxy-2-propanol 382.94
    1-methoxy-2-propyl acetate 341.62
    2-(2-methoxypropoxy) propanol 229.8
    mesitylene 85.83
    ε-caprolactone 465.8
    p-cymene 101.91
    epichlorohydrin 586.16
    1,1,1-trichloroethane 542.37
    2-aminoethanol 150.36
    morpholine-4-carbaldehyde 508.64
    sulfolane 364.85
    2,2,4-trimethylpentane 45.0
    2-methyltetrahydrofuran 639.78
    n-hexyl acetate 234.56
    isooctane 38.14
    2-(2-butoxyethoxy)ethanol 335.76
    sec-butyl acetate 217.82
    tert-butyl acetate 239.36
    decalin 60.24
    glycerin 114.0
    diglyme 593.79
    acrylic acid 192.6
    isopropyl myristate 113.99
    n-butyric acid 371.69
    acetyl acetate 305.86
    di(2-ethylhexyl) phthalate 86.66
    ethyl propionate 265.85
    nitromethane 430.75
    1,2-diethoxyethane 628.0
    benzonitrile 234.49
    trioctyl phosphate 65.3
    1-bromopropane 505.17
    gamma-valerolactone 592.81
    n-decanol 104.25
    triethyl phosphate 111.55
    4-methyl-2-pentanol 116.35
    propionitrile 301.04
    vinylene carbonate 256.2
    1,1,2-trichlorotrifluoroethane 360.85
    DMS 182.91
    cumene 82.33
    2-octanol 106.27
    2-hexanone 333.85
    octyl acetate 134.9
    limonene 170.16
    1,2-dimethoxyethane 518.52
    ethyl orthosilicate 121.54
    tributyl phosphate 82.19
    diacetone alcohol 213.87
    N,N-dimethylaniline 144.96
    acrylonitrile 282.56
    aniline 235.6
    1,3-propanediol 221.05
    bromobenzene 308.33
    dibromomethane 759.76
    1,1,2,2-tetrachloroethane 639.71
    2-methyl-cyclohexyl acetate 184.37
    tetrabutyl urea 101.07
    diisobutyl methanol 138.54
    2-phenylethanol 218.04
    styrene 167.48
    dioctyl adipate 134.6
    dimethyl sulfate 125.9
    ethyl butyrate 334.82
    methyl lactate 104.17
    butyl lactate 121.12
    diethyl carbonate 177.18
    propanediol butyl ether 150.4
    triethyl orthoformate 214.25
    p-tert-butyltoluene 99.56
    methyl 4-tert-butylbenzoate 151.28
    morpholine 843.8
    tert-butylamine 185.47
    n-dodecanol 83.74
    dimethoxymethane 300.17
    ethylene carbonate 229.7
    cyrene 163.1
    2-ethoxyethyl acetate 315.38
    2-ethylhexyl acetate 309.99
    1,2,4-trichlorobenzene 269.06
    4-methylpyridine 421.12
    dibutyl ether 273.53
    2,6-dimethyl-4-heptanol 138.54
    DEF 378.58
    dimethyl isosorbide 342.97
    tetrachloroethylene 466.59
    eugenol 159.59
    triacetin 204.9
    span 80 201.71
    1,4-butanediol 89.27
    1,1-dichloroethane 577.07
    2-methyl-1-pentanol 229.55
    methyl formate 127.75
    2-methyl-1-butanol 224.6
    n-decane 46.4
    butyronitrile 355.88
    3,7-dimethyl-1-octanol 150.78
    1-chlorooctane 128.43
    1-chlorotetradecane 54.44
    n-nonane 51.02
    undecane 32.47
    tert-butylcyclohexane 58.33
    cyclooctane 68.96
    cyclopentanol 222.72
    tetrahydropyran 786.12
    tert-amyl methyl ether 260.91
    2,5,8-trioxanonane 397.44
    1-hexene 310.72
    2-isopropoxyethanol 261.14
    2,2,2-trifluoroethanol 102.9
    methyl butyrate 308.03

    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