2-(Tridecyloxy)ethyl dihydrogen phosphate

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  • Identifiers

    CAS number
    15108-39-1

    Molecular formula
    C15H33O5P

    SMILES
    CCCCCCCCCCCCCOCCOP(=O)(O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 46.48%
    Odorless 36.85%
    Fatty 35.42%
    Fresh 33.86%
    Oily 32.81%
    Citrus 30.52%
    Sweet 25.3%
    Clean 25.01%
    Floral 22.27%
    Balsamic 19.96%

     

    Flavor
    Fatty 55.12%
    Waxy 54.27%
    Mild 36.44%
    Oily 35.81%
    Odorless 29.81%
    Cheese 29.63%
    Green 27.91%
    Creamy 27.67%
    Fat 27.55%
    Coconut 27.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.13 (neutral)

    Molecular weight
    324.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    426°C

    Flash point

    • 236.65 ˚C est.

  • Synonyms

    • DTXSID70873400
    • 2-(Tridecyloxy)ethyl dihydrogen phosphate
    • 15108-39-1
    • RefChem:1062072
    • DTXCID007719
    • 2-tridecoxyethyl dihydrogen phosphate
    • 9046-01-9
    • Poly(oxy-1,2-ethanediyl), a-tridecyl-w-hydroxy-, phosphate
    • UNII-NKT96BX1OC
    • UNII-742N9GLC7T
    • UNII-Z87POI937S
    • SCHEMBL1395457
    • PEG-6 Tridecyl ether phosphate
    • PEG-10 Tridecyl ether phosphate
    • ZFIPQMZIBVDQOK-UHFFFAOYSA-N
    • 9046-01-9

  • Applications

    2-(Tridecyloxy)ethyl dihydrogen phosphate (CAS 15108-39-1) is an amphiphilic phosphate ester commonly used as a nonionic surfactant and emulsifier in industrial formulations, notably in coatings, inks, and cleaning products; it can also function as a plasticizer or lubricant additive for polymers and metalworking oils, improving flexibility and lubricity; it serves as a pigment and filler dispersant in coatings and inks; it acts as a coupling agent to improve compatibility between polymer phases and coatings in material systems; and it is a potential intermediate in the synthesis of more complex phosphate esters for adhesives and specialty formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.27
    methanol 69.78
    isopropanol 28.02
    water 0.74
    ethyl acetate 17.35
    n-propanol 33.02
    acetone 28.76
    n-butanol 25.72
    acetonitrile 8.36
    DMF 112.56
    toluene 9.51
    isobutanol 23.83
    1,4-dioxane 37.53
    methyl acetate 17.39
    THF 141.04
    2-butanone 25.24
    n-pentanol 28.61
    sec-butanol 25.81
    n-hexane 2.69
    ethylene glycol 12.27
    NMP 189.68
    cyclohexane 7.27
    DMSO 250.88
    n-butyl acetate 32.24
    n-octanol 24.11
    chloroform 54.38
    n-propyl acetate 31.25
    acetic acid 42.08
    dichloromethane 52.05
    cyclohexanone 84.38
    propylene glycol 25.08
    isopropyl acetate 23.18
    DMAc 147.47
    2-ethoxyethanol 80.14
    isopentanol 27.45
    n-heptane 3.61
    ethyl formate 17.65
    1,2-dichloroethane 46.88
    n-hexanol 28.09
    2-methoxyethanol 91.95
    isobutyl acetate 23.44
    tetrachloromethane 13.06
    n-pentyl acetate 45.62
    transcutol 195.93
    n-heptanol 30.63
    ethylbenzene 8.97
    MIBK 29.91
    2-propoxyethanol 75.03
    tert-butanol 51.46
    MTBE 25.15
    2-butoxyethanol 75.36
    propionic acid 33.75
    o-xylene 14.46
    formic acid 31.34
    diethyl ether 14.54
    m-xylene 12.97
    p-xylene 12.59
    chlorobenzene 13.07
    dimethyl carbonate 13.18
    n-octane 2.45
    formamide 55.2
    cyclopentanone 109.42
    2-pentanone 27.27
    anisole 20.67
    cyclopentyl methyl ether 59.53
    gamma-butyrolactone 103.39
    1-methoxy-2-propanol 78.6
    pyridine 30.68
    3-pentanone 23.65
    furfural 83.79
    n-dodecane 1.6
    diethylene glycol 51.93
    diisopropyl ether 9.89
    tert-amyl alcohol 45.31
    acetylacetone 43.37
    n-hexadecane 1.83
    acetophenone 37.66
    methyl propionate 20.9
    isopentyl acetate 36.88
    trichloroethylene 70.67
    n-nonanol 23.74
    cyclohexanol 41.52
    benzyl alcohol 27.51
    2-ethylhexanol 20.61
    isooctanol 27.35
    dipropyl ether 20.42
    1,2-dichlorobenzene 21.82
    ethyl lactate 26.55
    propylene carbonate 52.85
    n-methylformamide 43.28
    2-pentanol 19.03
    n-pentane 2.46
    1-propoxy-2-propanol 62.61
    1-methoxy-2-propyl acetate 44.43
    2-(2-methoxypropoxy) propanol 60.81
    mesitylene 11.78
    ε-caprolactone 75.79
    p-cymene 11.6
    epichlorohydrin 84.33
    1,1,1-trichloroethane 33.68
    2-aminoethanol 38.04
    morpholine-4-carbaldehyde 113.19
    sulfolane 256.64
    2,2,4-trimethylpentane 3.09
    2-methyltetrahydrofuran 66.12
    n-hexyl acetate 45.12
    isooctane 2.08
    2-(2-butoxyethoxy)ethanol 88.65
    sec-butyl acetate 23.76
    tert-butyl acetate 43.26
    decalin 4.4
    glycerin 48.98
    diglyme 145.65
    acrylic acid 28.21
    isopropyl myristate 18.1
    n-butyric acid 46.19
    acetyl acetate 17.93
    di(2-ethylhexyl) phthalate 24.44
    ethyl propionate 22.26
    nitromethane 53.28
    1,2-diethoxyethane 42.1
    benzonitrile 20.19
    trioctyl phosphate 19.48
    1-bromopropane 17.0
    gamma-valerolactone 135.77
    n-decanol 16.69
    triethyl phosphate 23.79
    4-methyl-2-pentanol 16.79
    propionitrile 10.03
    vinylene carbonate 37.4
    1,1,2-trichlorotrifluoroethane 110.68
    DMS 29.02
    cumene 9.65
    2-octanol 20.28
    2-hexanone 31.68
    octyl acetate 23.55
    limonene 17.59
    1,2-dimethoxyethane 85.97
    ethyl orthosilicate 25.21
    tributyl phosphate 21.62
    diacetone alcohol 70.74
    N,N-dimethylaniline 26.74
    acrylonitrile 12.92
    aniline 19.53
    1,3-propanediol 46.67
    bromobenzene 13.7
    dibromomethane 34.84
    1,1,2,2-tetrachloroethane 89.38
    2-methyl-cyclohexyl acetate 42.85
    tetrabutyl urea 36.16
    diisobutyl methanol 16.7
    2-phenylethanol 29.38
    styrene 8.96
    dioctyl adipate 32.87
    dimethyl sulfate 43.75
    ethyl butyrate 27.82
    methyl lactate 28.25
    butyl lactate 51.24
    diethyl carbonate 18.07
    propanediol butyl ether 69.3
    triethyl orthoformate 29.97
    p-tert-butyltoluene 12.54
    methyl 4-tert-butylbenzoate 60.48
    morpholine 69.74
    tert-butylamine 29.29
    n-dodecanol 11.86
    dimethoxymethane 49.41
    ethylene carbonate 34.02
    cyrene 74.94
    2-ethoxyethyl acetate 51.94
    2-ethylhexyl acetate 29.62
    1,2,4-trichlorobenzene 28.36
    4-methylpyridine 28.35
    dibutyl ether 19.7
    2,6-dimethyl-4-heptanol 16.7
    DEF 48.12
    dimethyl isosorbide 115.3
    tetrachloroethylene 62.77
    eugenol 57.18
    triacetin 60.44
    span 80 61.74
    1,4-butanediol 23.76
    1,1-dichloroethane 23.35
    2-methyl-1-pentanol 27.25
    methyl formate 23.19
    2-methyl-1-butanol 25.41
    n-decane 3.01
    butyronitrile 12.06
    3,7-dimethyl-1-octanol 24.26
    1-chlorooctane 12.83
    1-chlorotetradecane 4.88
    n-nonane 2.78
    undecane 2.07
    tert-butylcyclohexane 3.78
    cyclooctane 3.2
    cyclopentanol 60.19
    tetrahydropyran 43.16
    tert-amyl methyl ether 26.95
    2,5,8-trioxanonane 103.39
    1-hexene 6.75
    2-isopropoxyethanol 54.8
    2,2,2-trifluoroethanol 26.67
    methyl butyrate 33.49

    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