2-Octadec-9-enoxyethanol;phosphoric acid

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  • Identifiers

    CAS number
    39464-69-2

    Molecular formula
    C20H43O6P

    SMILES
    CCCCCCCCC=CCCCCCCCCOCCO.OP(=O)(O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 60.54%
    Fatty 60.19%
    Oily 49.31%
    Fruity 39.27%
    Sweet 26.6%
    Fresh 25.83%
    Clean 25.61%
    Citrus 25.02%
    Odorless 23.66%
    Floral 22.59%

     

    Flavor
    Waxy 55.75%
    Fatty 35.66%
    Mild 29.56%
    Floral 28.51%
    Soapy 27.73%
    Wax 25.99%
    Oily 25.11%
    Fresh 24.96%
    Faint 24.7%
    Fat 24.65%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.51 (neutral)

    Molecular weight
    410.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    379°C

    Flash point

    • 182.38 ˚C est.

  • Synonyms

    • 39464-69-2
    • Oleyl triethoxy mono diphosphate
    • 2-octadec-9-enoxyethanol;phosphoric acid
    • 12751-05-2
    • DTXSID00925901
    • IPHYGCMVLYWKLM-UHFFFAOYSA-N
    • Phosphoric acid--2-[(octadec-9-en-1-yl)oxy]ethan-1-ol (1/1)

  • Applications

    Chemical name: 2-Octadec-9-enoxyethanol;phosphoric acid (CAS 39464-69-2) is a fatty alcohol-derived phosphate ester that functions as a non-ionic surfactant and processing aid in a range of formulations. Practical applications include: as a surfactant/emulsifier and softening agent in household and industrial cleaning formulations; as a surfactant and conditioning agent in cosmetics/personal care; as a dispersing or compatibility additive in coatings and inks; as a plasticizer or processing aid for polymers/plastics to improve flexibility and processability; and as a lubricant-related additive in industrial manufacturing to enhance lubricity and surface properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 110.24
    methanol 84.31
    isopropanol 123.97
    water 0.02
    ethyl acetate 376.99
    n-propanol 135.86
    acetone 242.31
    n-butanol 189.65
    acetonitrile 67.85
    DMF 150.99
    toluene 112.74
    isobutanol 127.76
    1,4-dioxane 463.18
    methyl acetate 170.05
    THF 988.58
    2-butanone 272.73
    n-pentanol 138.03
    sec-butanol 164.0
    n-hexane 80.94
    ethylene glycol 5.75
    NMP 299.76
    cyclohexane 444.68
    DMSO 529.8
    n-butyl acetate 476.91
    n-octanol 132.23
    chloroform 663.8
    n-propyl acetate 444.76
    acetic acid 93.57
    dichloromethane 688.71
    cyclohexanone 729.01
    propylene glycol 19.83
    isopropyl acetate 359.29
    DMAc 279.91
    2-ethoxyethanol 249.81
    isopentanol 236.81
    n-heptane 145.04
    ethyl formate 119.95
    1,2-dichloroethane 579.09
    n-hexanol 147.51
    2-methoxyethanol 229.89
    isobutyl acetate 288.75
    tetrachloromethane 205.84
    n-pentyl acetate 505.83
    transcutol 1314.36
    n-heptanol 131.03
    ethylbenzene 104.6
    MIBK 352.1
    2-propoxyethanol 251.13
    tert-butanol 252.83
    MTBE 389.24
    2-butoxyethanol 276.62
    propionic acid 89.19
    o-xylene 115.41
    formic acid 13.02
    diethyl ether 421.03
    m-xylene 103.32
    p-xylene 128.03
    chlorobenzene 166.79
    dimethyl carbonate 51.78
    n-octane 47.09
    formamide 26.38
    cyclopentanone 559.98
    2-pentanone 392.09
    anisole 192.94
    cyclopentyl methyl ether 578.26
    gamma-butyrolactone 438.62
    1-methoxy-2-propanol 250.52
    pyridine 275.69
    3-pentanone 279.14
    furfural 294.68
    n-dodecane 20.16
    diethylene glycol 86.74
    diisopropyl ether 192.6
    tert-amyl alcohol 249.57
    acetylacetone 362.87
    n-hexadecane 24.73
    acetophenone 219.81
    methyl propionate 207.7
    isopentyl acetate 443.29
    trichloroethylene 743.36
    n-nonanol 132.27
    cyclohexanol 340.69
    benzyl alcohol 107.87
    2-ethylhexanol 195.52
    isooctanol 152.84
    dipropyl ether 543.39
    1,2-dichlorobenzene 209.67
    ethyl lactate 122.65
    propylene carbonate 265.91
    n-methylformamide 52.46
    2-pentanol 176.9
    n-pentane 67.07
    1-propoxy-2-propanol 332.55
    1-methoxy-2-propyl acetate 368.18
    2-(2-methoxypropoxy) propanol 222.25
    mesitylene 97.75
    ε-caprolactone 598.98
    p-cymene 119.43
    epichlorohydrin 641.71
    1,1,1-trichloroethane 577.86
    2-aminoethanol 27.57
    morpholine-4-carbaldehyde 334.3
    sulfolane 697.72
    2,2,4-trimethylpentane 57.06
    2-methyltetrahydrofuran 758.29
    n-hexyl acetate 438.04
    isooctane 36.19
    2-(2-butoxyethoxy)ethanol 340.67
    sec-butyl acetate 354.75
    tert-butyl acetate 509.03
    decalin 96.31
    glycerin 34.64
    diglyme 835.82
    acrylic acid 47.23
    isopropyl myristate 156.82
    n-butyric acid 302.34
    acetyl acetate 206.79
    di(2-ethylhexyl) phthalate 99.18
    ethyl propionate 343.39
    nitromethane 191.79
    1,2-diethoxyethane 695.03
    benzonitrile 135.19
    trioctyl phosphate 87.13
    1-bromopropane 431.05
    gamma-valerolactone 660.32
    n-decanol 84.55
    triethyl phosphate 198.08
    4-methyl-2-pentanol 139.52
    propionitrile 100.09
    vinylene carbonate 176.08
    1,1,2-trichlorotrifluoroethane 363.21
    DMS 164.1
    cumene 88.15
    2-octanol 116.42
    2-hexanone 355.07
    octyl acetate 175.14
    limonene 248.25
    1,2-dimethoxyethane 596.79
    ethyl orthosilicate 225.57
    tributyl phosphate 118.78
    diacetone alcohol 383.4
    N,N-dimethylaniline 147.86
    acrylonitrile 73.11
    aniline 105.59
    1,3-propanediol 82.61
    bromobenzene 207.4
    dibromomethane 529.81
    1,1,2,2-tetrachloroethane 819.93
    2-methyl-cyclohexyl acetate 341.71
    tetrabutyl urea 168.94
    diisobutyl methanol 175.42
    2-phenylethanol 120.67
    styrene 108.96
    dioctyl adipate 237.3
    dimethyl sulfate 115.56
    ethyl butyrate 486.45
    methyl lactate 71.15
    butyl lactate 260.45
    diethyl carbonate 233.38
    propanediol butyl ether 185.04
    triethyl orthoformate 391.5
    p-tert-butyltoluene 111.25
    methyl 4-tert-butylbenzoate 264.37
    morpholine 625.62
    tert-butylamine 195.42
    n-dodecanol 60.81
    dimethoxymethane 226.79
    ethylene carbonate 203.3
    cyrene 194.51
    2-ethoxyethyl acetate 458.58
    2-ethylhexyl acetate 379.8
    1,2,4-trichlorobenzene 236.11
    4-methylpyridine 249.35
    dibutyl ether 456.07
    2,6-dimethyl-4-heptanol 175.42
    DEF 368.63
    dimethyl isosorbide 451.64
    tetrachloroethylene 532.18
    eugenol 185.3
    triacetin 379.75
    span 80 218.03
    1,4-butanediol 31.77
    1,1-dichloroethane 428.84
    2-methyl-1-pentanol 169.61
    methyl formate 40.65
    2-methyl-1-butanol 190.83
    n-decane 50.74
    butyronitrile 172.1
    3,7-dimethyl-1-octanol 173.67
    1-chlorooctane 170.18
    1-chlorotetradecane 51.5
    n-nonane 55.21
    undecane 29.83
    tert-butylcyclohexane 69.3
    cyclooctane 112.28
    cyclopentanol 241.85
    tetrahydropyran 952.5
    tert-amyl methyl ether 336.79
    2,5,8-trioxanonane 446.15
    1-hexene 149.04
    2-isopropoxyethanol 231.87
    2,2,2-trifluoroethanol 33.11
    methyl butyrate 459.46

    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