3-Aminopropyl-dl-alpha-tocopheryl phosphate

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  • Identifiers

    CAS number
    348099-49-0

    Molecular formula
    C32H58NO5P

    SMILES
    CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OP(=O)(O)OCCCN)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.52%
    Woody 33.89%
    Floral 32.44%
    Waxy 28.78%
    Fresh 28.12%
    Balsamic 28.03%
    Animal 27.82%
    Dry 25.71%
    Amber 25.05%
    Musk 23.35%

     

    Flavor
    Mild 34.41%
    Bland 32.95%
    Woody 26.56%
    Odorless 25.56%
    Slightly waxy 20.7%
    Delicate 20.62%
    Herbal 20.59%
    Faint 20.53%
    Thymol 19.87%
    Bay oil 19.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    9.06 (weak base)

    Molecular weight
    567.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    737°C

    Flash point

    • 240.14 ˚C est.

  • Synonyms

    • 3-Aminopropyl-dl-alpha-tocopheryl phosphate
    • DTXSID301021844
    • 348099-49-0
    • 348099-49-0

  • Applications

    3-Aminopropyl-dl-alpha-tocopheryl phosphate (CAS 348099-49-0) is a tocopherol-derived phosphate with an amine-containing propyl group, viewed as a functional ingredient that can act as a surface-active additive and antioxidant; in real-world use, typical domains include cosmetics/personal care (serving as an antioxidant stabilizer for oils/creams and potentially as a surfactant to improve dispersion), cleaning and household products (as a surfactant and emulsifier in cleaning formulations), polymers/plastics (as an antioxidant stabilizer and may serve as a functional intermediate for polymer modification or crosslinking), coatings/inks (to enhance dispersion, stability and adhesion as a surface-active additive), and agriculture (as a spray adjuvant or formulation additive to improve wetting and coverage); it may also be explored as a precursor for functional vitamin E derivatives or pharmaceutical excipient systems, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.08
    methanol 32.52
    isopropanol 17.4
    water 0.57
    ethyl acetate 22.77
    n-propanol 29.42
    acetone 41.51
    n-butanol 23.67
    acetonitrile 11.77
    DMF 60.41
    toluene 15.5
    isobutanol 21.83
    1,4-dioxane 43.52
    methyl acetate 27.1
    THF 108.48
    2-butanone 46.69
    n-pentanol 29.23
    sec-butanol 20.72
    n-hexane 0.94
    ethylene glycol 3.89
    NMP 131.32
    cyclohexane 1.65
    DMSO 51.4
    n-butyl acetate 31.54
    n-octanol 15.99
    chloroform 120.02
    n-propyl acetate 29.86
    acetic acid 56.29
    dichloromethane 87.41
    cyclohexanone 85.7
    propylene glycol 10.71
    isopropyl acetate 20.07
    DMAc 114.92
    2-ethoxyethanol 52.59
    isopentanol 20.94
    n-heptane 1.02
    ethyl formate 25.23
    1,2-dichloroethane 46.54
    n-hexanol 20.95
    2-methoxyethanol 46.42
    isobutyl acetate 27.19
    tetrachloromethane 19.35
    n-pentyl acetate 48.7
    transcutol 97.18
    n-heptanol 22.93
    ethylbenzene 8.52
    MIBK 24.27
    2-propoxyethanol 54.83
    tert-butanol 18.35
    MTBE 16.82
    2-butoxyethanol 60.53
    propionic acid 34.88
    o-xylene 10.54
    formic acid 21.42
    diethyl ether 13.17
    m-xylene 10.53
    p-xylene 13.54
    chlorobenzene 31.27
    dimethyl carbonate 17.9
    n-octane 0.68
    formamide 27.25
    cyclopentanone 106.32
    2-pentanone 35.06
    anisole 23.09
    cyclopentyl methyl ether 32.17
    gamma-butyrolactone 99.24
    1-methoxy-2-propanol 40.34
    pyridine 57.76
    3-pentanone 27.57
    furfural 82.78
    n-dodecane 0.47
    diethylene glycol 26.47
    diisopropyl ether 4.37
    tert-amyl alcohol 21.86
    acetylacetone 42.06
    n-hexadecane 0.54
    acetophenone 36.1
    methyl propionate 26.46
    isopentyl acetate 34.04
    trichloroethylene 116.4
    n-nonanol 16.16
    cyclohexanol 22.65
    benzyl alcohol 34.3
    2-ethylhexanol 13.47
    isooctanol 20.82
    dipropyl ether 11.29
    1,2-dichlorobenzene 30.68
    ethyl lactate 21.2
    propylene carbonate 54.62
    n-methylformamide 35.97
    2-pentanol 12.73
    n-pentane 0.88
    1-propoxy-2-propanol 40.12
    1-methoxy-2-propyl acetate 39.02
    2-(2-methoxypropoxy) propanol 40.11
    mesitylene 6.02
    ε-caprolactone 79.37
    p-cymene 7.65
    epichlorohydrin 103.03
    1,1,1-trichloroethane 49.56
    2-aminoethanol 15.95
    morpholine-4-carbaldehyde 80.32
    sulfolane 117.42
    2,2,4-trimethylpentane 0.96
    2-methyltetrahydrofuran 55.08
    n-hexyl acetate 41.61
    isooctane 0.56
    2-(2-butoxyethoxy)ethanol 54.24
    sec-butyl acetate 20.18
    tert-butyl acetate 25.14
    decalin 1.26
    glycerin 15.91
    diglyme 84.55
    acrylic acid 33.96
    isopropyl myristate 11.9
    n-butyric acid 47.45
    acetyl acetate 22.91
    di(2-ethylhexyl) phthalate 24.51
    ethyl propionate 19.15
    nitromethane 60.78
    1,2-diethoxyethane 30.35
    benzonitrile 24.55
    trioctyl phosphate 16.52
    1-bromopropane 19.82
    gamma-valerolactone 148.09
    n-decanol 10.16
    triethyl phosphate 15.28
    4-methyl-2-pentanol 9.92
    propionitrile 14.46
    vinylene carbonate 51.12
    1,1,2-trichlorotrifluoroethane 93.86
    DMS 27.09
    cumene 6.99
    2-octanol 14.55
    2-hexanone 36.93
    octyl acetate 19.0
    limonene 9.0
    1,2-dimethoxyethane 54.81
    ethyl orthosilicate 15.91
    tributyl phosphate 16.36
    diacetone alcohol 35.22
    N,N-dimethylaniline 18.0
    acrylonitrile 18.05
    aniline 26.38
    1,3-propanediol 24.61
    bromobenzene 28.79
    dibromomethane 51.51
    1,1,2,2-tetrachloroethane 101.16
    2-methyl-cyclohexyl acetate 30.54
    tetrabutyl urea 23.21
    diisobutyl methanol 7.22
    2-phenylethanol 34.43
    styrene 10.27
    dioctyl adipate 23.37
    dimethyl sulfate 34.55
    ethyl butyrate 20.9
    methyl lactate 22.17
    butyl lactate 47.03
    diethyl carbonate 14.64
    propanediol butyl ether 49.75
    triethyl orthoformate 21.29
    p-tert-butyltoluene 7.13
    methyl 4-tert-butylbenzoate 45.14
    morpholine 59.42
    tert-butylamine 8.46
    n-dodecanol 6.4
    dimethoxymethane 41.57
    ethylene carbonate 41.99
    cyrene 56.87
    2-ethoxyethyl acetate 61.08
    2-ethylhexyl acetate 28.93
    1,2,4-trichlorobenzene 45.66
    4-methylpyridine 48.27
    dibutyl ether 10.04
    2,6-dimethyl-4-heptanol 7.22
    DEF 37.48
    dimethyl isosorbide 67.69
    tetrachloroethylene 64.89
    eugenol 46.72
    triacetin 46.3
    span 80 42.04
    1,4-butanediol 17.07
    1,1-dichloroethane 41.32
    2-methyl-1-pentanol 26.2
    methyl formate 27.36
    2-methyl-1-butanol 22.71
    n-decane 1.01
    butyronitrile 16.13
    3,7-dimethyl-1-octanol 13.38
    1-chlorooctane 7.28
    1-chlorotetradecane 2.15
    n-nonane 0.85
    undecane 0.65
    tert-butylcyclohexane 1.11
    cyclooctane 0.64
    cyclopentanol 34.21
    tetrahydropyran 39.05
    tert-amyl methyl ether 14.85
    2,5,8-trioxanonane 49.38
    1-hexene 4.99
    2-isopropoxyethanol 40.0
    2,2,2-trifluoroethanol 28.91
    methyl butyrate 30.72

    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