2-(Diphenylphosphorothioyl)phenyl diphenylphosphinate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C15H24O

    SMILES
    CC1CCC2=C(CCC(CC12)C(=C)C)CO

  • Odor profile

    Woody 69.7%
    Sweet 56.43%
    Floral 44.99%
    Fresh 39.99%
    Balsamic 39.74%
    Citrus 39.03%
    Clean 38.88%
    Spicy 38.74%
    Waxy 36.92%
    Herbal 36.42%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Flash point est.
    111.46 ˚C

  • Synonyms

    • 2-(Diphenylphosphorothioyl)phenyl diphenylphosphinate
    • XDJJQGUABGVLLV-UHFFFAOYSA-N
    • Guaia-1(10),11-dien-15-ol

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4654.88
    methanol 3704.73
    isopropanol 5646.9
    water 0.85
    ethyl acetate 2974.56
    n-propanol 4890.86
    acetone 3884.86
    n-butanol 3968.26
    acetonitrile 3414.66
    DMF 2688.36
    toluene 1787.46
    isobutanol 3003.46
    1,4-dioxane 6325.92
    methyl acetate 2368.04
    THF 7998.99
    2-butanone 3102.97
    n-pentanol 1319.91
    sec-butanol 2391.1
    n-hexane 50.46
    ethylene glycol 241.98
    NMP 759.27
    cyclohexane 257.69
    DMSO 2001.54
    n-butyl acetate 1811.31
    n-octanol 318.51
    chloroform 5853.75
    n-propyl acetate 1338.12
    acetic acid 1136.28
    dichloromethane 4873.94
    cyclohexanone 2832.71
    propylene glycol 540.89
    isopropyl acetate 1588.42
    DMAc 1047.5
    2-ethoxyethanol 1544.71
    isopentanol 2582.79
    n-heptane 63.46
    ethyl formate 1959.89
    1,2-dichloroethane 2786.85
    n-hexanol 1627.9
    2-methoxyethanol 4007.45
    isobutyl acetate 727.37
    tetrachloromethane 889.11
    n-pentyl acetate 709.29
    transcutol 3921.57
    n-heptanol 458.66
    ethylbenzene 424.27
    MIBK 1154.42
    2-propoxyethanol 2316.91
    tert-butanol 4071.8
    MTBE 3302.25
    2-butoxyethanol 1001.42
    propionic acid 1257.93
    o-xylene 545.87
    formic acid 289.5
    diethyl ether 3713.53
    m-xylene 812.91
    p-xylene 528.35
    chlorobenzene 1445.35
    dimethyl carbonate 521.52
    n-octane 21.06
    formamide 706.48
    cyclopentanone 3177.46
    2-pentanone 2555.78
    anisole 929.81
    cyclopentyl methyl ether 1860.12
    gamma-butyrolactone 2823.37
    1-methoxy-2-propanol 2930.53
    pyridine 4483.25
    3-pentanone 1282.88
    furfural 1863.1
    n-dodecane 14.07
    diethylene glycol 1061.98
    diisopropyl ether 593.81
    tert-amyl alcohol 1597.79
    acetylacetone 1668.03
    n-hexadecane 17.4
    acetophenone 624.64
    methyl propionate 1521.03
    isopentyl acetate 1417.37
    trichloroethylene 4352.36
    n-nonanol 265.88
    cyclohexanol 1593.22
    benzyl alcohol 807.26
    2-ethylhexanol 613.41
    isooctanol 360.96
    dipropyl ether 1023.75
    1,2-dichlorobenzene 930.06
    ethyl lactate 358.3
    propylene carbonate 1313.72
    n-methylformamide 2033.49
    2-pentanol 1774.58
    n-pentane 119.67
    1-propoxy-2-propanol 1588.05
    1-methoxy-2-propyl acetate 1258.81
    2-(2-methoxypropoxy) propanol 507.68
    mesitylene 402.55
    ε-caprolactone 1892.11
    p-cymene 263.75
    epichlorohydrin 3896.24
    1,1,1-trichloroethane 2394.07
    2-aminoethanol 977.62
    morpholine-4-carbaldehyde 1595.67
    sulfolane 1382.41
    2,2,4-trimethylpentane 49.29
    2-methyltetrahydrofuran 4233.63
    n-hexyl acetate 762.14
    isooctane 64.26
    2-(2-butoxyethoxy)ethanol 946.22
    sec-butyl acetate 723.94
    tert-butyl acetate 1240.1
    decalin 59.61
    glycerin 500.82
    diglyme 2200.51
    acrylic acid 725.46
    isopropyl myristate 224.32
    n-butyric acid 2872.98
    acetyl acetate 1019.2
    di(2-ethylhexyl) phthalate 218.81
    ethyl propionate 854.11
    nitromethane 2277.13
    1,2-diethoxyethane 1888.69
    benzonitrile 1354.86
    trioctyl phosphate 154.69
    1-bromopropane 1846.01
    gamma-valerolactone 3363.87
    n-decanol 177.42
    triethyl phosphate 244.6
    4-methyl-2-pentanol 788.4
    propionitrile 3091.55
    vinylene carbonate 1346.21
    1,1,2-trichlorotrifluoroethane 1361.85
    DMS 479.89
    cumene 240.77
    2-octanol 269.72
    2-hexanone 1095.0
    octyl acetate 270.35
    limonene 359.12
    1,2-dimethoxyethane 3118.31
    ethyl orthosilicate 267.93
    tributyl phosphate 197.5
    diacetone alcohol 1057.35
    N,N-dimethylaniline 413.39
    acrylonitrile 2688.42
    aniline 1735.72
    1,3-propanediol 2232.49
    bromobenzene 1473.07
    dibromomethane 3133.02
    1,1,2,2-tetrachloroethane 2909.63
    2-methyl-cyclohexyl acetate 453.28
    tetrabutyl urea 226.59
    diisobutyl methanol 391.25
    2-phenylethanol 878.43
    styrene 594.02
    dioctyl adipate 283.58
    dimethyl sulfate 435.19
    ethyl butyrate 966.24
    methyl lactate 502.76
    butyl lactate 477.47
    diethyl carbonate 538.51
    propanediol butyl ether 649.74
    triethyl orthoformate 585.27
    p-tert-butyltoluene 270.37
    methyl 4-tert-butylbenzoate 451.0
    morpholine 7627.26
    tert-butylamine 2370.33
    n-dodecanol 125.95
    dimethoxymethane 2755.72
    ethylene carbonate 1376.82
    cyrene 407.4
    2-ethoxyethyl acetate 1046.95
    2-ethylhexyl acetate 892.2
    1,2,4-trichlorobenzene 966.5
    4-methylpyridine 3204.45
    dibutyl ether 560.62
    2,6-dimethyl-4-heptanol 391.25
    DEF 1515.88
    dimethyl isosorbide 830.48
    tetrachloroethylene 1873.53
    eugenol 447.74
    triacetin 512.32
    span 80 448.69
    1,4-butanediol 441.79
    1,1-dichloroethane 3465.84
    2-methyl-1-pentanol 834.07
    methyl formate 1269.1
    2-methyl-1-butanol 1866.06
    n-decane 28.95
    butyronitrile 3560.42
    3,7-dimethyl-1-octanol 380.4
    1-chlorooctane 185.91
    1-chlorotetradecane 55.55
    n-nonane 26.8
    undecane 18.82
    tert-butylcyclohexane 57.39
    cyclooctane 58.38
    cyclopentanol 1720.83
    tetrahydropyran 7321.52
    tert-amyl methyl ether 1012.05
    2,5,8-trioxanonane 986.95
    1-hexene 399.4
    2-isopropoxyethanol 870.15
    2,2,2-trifluoroethanol 329.34
    methyl butyrate 1289.89

    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

Botanical

Name CAS Botanical Proportion
Agarwood 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.3%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.65%