2-Hexadecoxyethyl dihydrogen phosphate

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  • Identifiers

    CAS number
    50643-20-4

    Molecular formula
    C18H39O5P

    SMILES
    CCCCCCCCCCCCCCCCOCCOP(=O)(O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 54.67%
    Fatty 39.99%
    Odorless 36.52%
    Oily 33.95%
    Fresh 29.77%
    Citrus 27.32%
    Sweet 24.21%
    Clean 24.18%
    Balsamic 20.37%
    Milky 18.7%

     

    Flavor
    Fatty 56.55%
    Waxy 55.2%
    Mild 39.3%
    Oily 35.06%
    Odorless 29.72%
    Fat 29.71%
    Coconut 29.01%
    Bland 28.04%
    Soapy 27.87%
    Creamy 26.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    7.14 (neutral)

    Molecular weight
    366.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    471°C

    Flash point

    • 253.62 ˚C est.

  • Synonyms

    • 2-hexadecoxyethyl dihydrogen phosphate
    • 50643-20-4
    • SCHEMBL3625618
    • DTXSID50866158
    • 2-(hexadecyloxy)ethyl dihydrogen phosphate
    • NS00013440
    • 50643-20-4

  • Applications

    2-Hexadecoxyethyl dihydrogen phosphate (CAS 50643-20-4) is commonly used as a nonionic surfactant and emulsifier in cosmetic and personal care formulations, helping stabilize creams and lotions; as a surfactant and wetting agent in household cleaning products and hard-surface cleaners; as a dispersant and leveling agent in coatings and inks to improve pigment dispersion and film formation; as a processing aid and emulsifier in polymer and plastics formulations, including emulsion polymerization and plastisol formulations; and as an intermediate for the synthesis of other phosphate esters and related additives used in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.48
    methanol 18.32
    isopropanol 8.7
    water 0.49
    ethyl acetate 9.39
    n-propanol 10.81
    acetone 12.7
    n-butanol 8.91
    acetonitrile 4.12
    DMF 52.1
    toluene 5.46
    isobutanol 8.34
    1,4-dioxane 17.86
    methyl acetate 9.98
    THF 69.16
    2-butanone 13.91
    n-pentanol 10.82
    sec-butanol 9.91
    n-hexane 1.7
    ethylene glycol 3.28
    NMP 127.12
    cyclohexane 4.69
    DMSO 102.6
    n-butyl acetate 18.57
    n-octanol 14.65
    chloroform 42.64
    n-propyl acetate 18.45
    acetic acid 18.84
    dichloromethane 40.32
    cyclohexanone 48.57
    propylene glycol 7.24
    isopropyl acetate 12.35
    DMAc 93.91
    2-ethoxyethanol 30.96
    isopentanol 10.5
    n-heptane 2.65
    ethyl formate 9.37
    1,2-dichloroethane 29.37
    n-hexanol 11.27
    2-methoxyethanol 31.08
    isobutyl acetate 13.96
    tetrachloromethane 10.79
    n-pentyl acetate 34.23
    transcutol 113.21
    n-heptanol 16.53
    ethylbenzene 5.74
    MIBK 14.76
    2-propoxyethanol 33.22
    tert-butanol 17.65
    MTBE 11.98
    2-butoxyethanol 44.87
    propionic acid 16.12
    o-xylene 8.89
    formic acid 12.07
    diethyl ether 7.22
    m-xylene 7.22
    p-xylene 8.27
    chlorobenzene 8.5
    dimethyl carbonate 7.87
    n-octane 1.88
    formamide 21.61
    cyclopentanone 62.76
    2-pentanone 13.42
    anisole 11.69
    cyclopentyl methyl ether 32.07
    gamma-butyrolactone 61.83
    1-methoxy-2-propanol 30.3
    pyridine 18.53
    3-pentanone 14.0
    furfural 48.74
    n-dodecane 1.13
    diethylene glycol 20.38
    diisopropyl ether 5.37
    tert-amyl alcohol 18.53
    acetylacetone 22.4
    n-hexadecane 1.29
    acetophenone 23.23
    methyl propionate 11.76
    isopentyl acetate 21.47
    trichloroethylene 48.63
    n-nonanol 15.35
    cyclohexanol 17.62
    benzyl alcohol 13.62
    2-ethylhexanol 11.02
    isooctanol 15.75
    dipropyl ether 12.91
    1,2-dichlorobenzene 14.98
    ethyl lactate 16.38
    propylene carbonate 32.73
    n-methylformamide 19.66
    2-pentanol 7.44
    n-pentane 1.35
    1-propoxy-2-propanol 33.1
    1-methoxy-2-propyl acetate 26.17
    2-(2-methoxypropoxy) propanol 40.89
    mesitylene 7.01
    ε-caprolactone 48.25
    p-cymene 8.22
    epichlorohydrin 47.77
    1,1,1-trichloroethane 24.48
    2-aminoethanol 10.18
    morpholine-4-carbaldehyde 66.33
    sulfolane 159.66
    2,2,4-trimethylpentane 2.13
    2-methyltetrahydrofuran 36.77
    n-hexyl acetate 31.62
    isooctane 1.22
    2-(2-butoxyethoxy)ethanol 52.66
    sec-butyl acetate 14.6
    tert-butyl acetate 24.51
    decalin 3.19
    glycerin 15.85
    diglyme 93.04
    acrylic acid 13.66
    isopropyl myristate 12.38
    n-butyric acid 22.12
    acetyl acetate 9.93
    di(2-ethylhexyl) phthalate 16.16
    ethyl propionate 14.11
    nitromethane 26.13
    1,2-diethoxyethane 26.34
    benzonitrile 11.29
    trioctyl phosphate 12.62
    1-bromopropane 11.08
    gamma-valerolactone 79.28
    n-decanol 10.17
    triethyl phosphate 18.12
    4-methyl-2-pentanol 7.46
    propionitrile 5.25
    vinylene carbonate 23.26
    1,1,2-trichlorotrifluoroethane 68.36
    DMS 19.34
    cumene 6.45
    2-octanol 12.49
    2-hexanone 17.85
    octyl acetate 16.01
    limonene 12.14
    1,2-dimethoxyethane 41.77
    ethyl orthosilicate 19.21
    tributyl phosphate 14.81
    diacetone alcohol 34.94
    N,N-dimethylaniline 16.78
    acrylonitrile 6.56
    aniline 9.72
    1,3-propanediol 13.96
    bromobenzene 9.19
    dibromomethane 25.73
    1,1,2,2-tetrachloroethane 63.5
    2-methyl-cyclohexyl acetate 28.71
    tetrabutyl urea 26.47
    diisobutyl methanol 9.81
    2-phenylethanol 15.36
    styrene 5.59
    dioctyl adipate 23.15
    dimethyl sulfate 28.47
    ethyl butyrate 18.13
    methyl lactate 15.1
    butyl lactate 36.16
    diethyl carbonate 12.18
    propanediol butyl ether 39.25
    triethyl orthoformate 22.01
    p-tert-butyltoluene 8.6
    methyl 4-tert-butylbenzoate 43.94
    morpholine 32.24
    tert-butylamine 11.43
    n-dodecanol 6.98
    dimethoxymethane 22.59
    ethylene carbonate 20.61
    cyrene 46.35
    2-ethoxyethyl acetate 36.91
    2-ethylhexyl acetate 18.91
    1,2,4-trichlorobenzene 19.63
    4-methylpyridine 15.75
    dibutyl ether 14.11
    2,6-dimethyl-4-heptanol 9.81
    DEF 27.81
    dimethyl isosorbide 79.82
    tetrachloroethylene 42.66
    eugenol 38.82
    triacetin 44.73
    span 80 37.46
    1,4-butanediol 7.82
    1,1-dichloroethane 15.87
    2-methyl-1-pentanol 11.92
    methyl formate 11.41
    2-methyl-1-butanol 10.41
    n-decane 2.29
    butyronitrile 5.78
    3,7-dimethyl-1-octanol 14.51
    1-chlorooctane 9.6
    1-chlorotetradecane 3.41
    n-nonane 2.13
    undecane 1.53
    tert-butylcyclohexane 2.66
    cyclooctane 2.07
    cyclopentanol 26.27
    tetrahydropyran 22.47
    tert-amyl methyl ether 14.33
    2,5,8-trioxanonane 65.69
    1-hexene 3.94
    2-isopropoxyethanol 23.87
    2,2,2-trifluoroethanol 14.64
    methyl butyrate 21.16

    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