Cetyl Phosphate

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  • Identifiers

    CAS number
    3539-43-3

    Molecular formula
    C16H35O4P

    SMILES
    CCCCCCCCCCCCCCCCOP(=O)(O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Waxy 59.53%
    Fatty 44.25%
    Oily 36.74%
    Odorless 35.02%
    Citrus 29.58%
    Fresh 29.37%
    Balsamic 24.04%
    Clean 24.03%
    Woody 22.34%
    Floral 22.19%

    Scent© AI

  • Properties

    XLogP3-AA
    6.2

    Molecular weight
    322.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    411°C

    Flash point est.
    243.03 ˚C

  • Synonyms

    • Hexadecyl dihydrogen phosphate
    • 3539-43-3
    • CETYL PHOSPHATE
    • Hexadecyl phosphate
    • 1-Hexadecanol, dihydrogen phosphate
    • Hostaphat CC 100
    • cetyl dihydrogen phosphate
    • VT07D6X67O
    • MACKESTER CEP
    • CRODAFOS MCA
    • Phosphoric acid monohexadecyl ester
    • EINECS 222-581-1
    • 1-Hexadecanol, 1-(dihydrogen phosphate)
    • DTXSID1045039
    • 1-Hexadecanol,1-(dihydrogen phosphate)
    • monocetyl phosphate
    • UNII-VT07D6X67O
    • monocetylphosphoric acid
    • SCHEMBL63748
    • CETYL PHOSPHATE [INCI]
    • CHEMBL479322
    • DTXCID9025039
    • DAA53943
    • DB-048793
    • NS00013446
    • Q27292009

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.24
    methanol 55.29
    isopropanol 41.7
    water 0.19
    ethyl acetate 21.56
    n-propanol 42.96
    acetone 35.71
    n-butanol 37.08
    acetonitrile 8.56
    DMF 126.95
    toluene 14.27
    isobutanol 31.37
    1,4-dioxane 48.61
    methyl acetate 19.05
    THF 238.0
    2-butanone 36.24
    n-pentanol 37.67
    sec-butanol 37.81
    n-hexane 6.2
    ethylene glycol 8.76
    NMP 216.95
    cyclohexane 12.58
    DMSO 226.71
    n-butyl acetate 46.26
    n-octanol 35.45
    chloroform 79.95
    n-propyl acetate 41.73
    acetic acid 29.73
    dichloromethane 69.24
    cyclohexanone 112.99
    propylene glycol 25.87
    isopropyl acetate 29.0
    DMAc 153.26
    2-ethoxyethanol 74.28
    isopentanol 37.09
    n-heptane 6.56
    ethyl formate 19.43
    1,2-dichloroethane 60.39
    n-hexanol 40.23
    2-methoxyethanol 90.52
    isobutyl acetate 32.31
    tetrachloromethane 17.15
    n-pentyl acetate 67.76
    transcutol 186.67
    n-heptanol 42.11
    ethylbenzene 12.5
    MIBK 40.92
    2-propoxyethanol 87.19
    tert-butanol 62.14
    MTBE 41.52
    2-butoxyethanol 93.15
    propionic acid 33.39
    o-xylene 17.19
    formic acid 15.55
    diethyl ether 24.77
    m-xylene 16.53
    p-xylene 17.48
    chlorobenzene 18.62
    dimethyl carbonate 13.01
    n-octane 4.29
    formamide 32.36
    cyclopentanone 166.62
    2-pentanone 40.63
    anisole 26.26
    cyclopentyl methyl ether 87.94
    gamma-butyrolactone 134.47
    1-methoxy-2-propanol 91.53
    pyridine 42.5
    3-pentanone 32.19
    furfural 91.04
    n-dodecane 2.47
    diethylene glycol 46.16
    diisopropyl ether 15.31
    tert-amyl alcohol 59.4
    acetylacetone 51.34
    n-hexadecane 2.88
    acetophenone 42.42
    methyl propionate 25.18
    isopentyl acetate 52.04
    trichloroethylene 88.69
    n-nonanol 35.45
    cyclohexanol 51.12
    benzyl alcohol 29.28
    2-ethylhexanol 29.5
    isooctanol 37.36
    dipropyl ether 35.27
    1,2-dichlorobenzene 27.72
    ethyl lactate 28.98
    propylene carbonate 63.15
    n-methylformamide 45.15
    2-pentanol 28.32
    n-pentane 5.03
    1-propoxy-2-propanol 79.31
    1-methoxy-2-propyl acetate 55.46
    2-(2-methoxypropoxy) propanol 68.08
    mesitylene 14.73
    ε-caprolactone 95.63
    p-cymene 15.74
    epichlorohydrin 114.12
    1,1,1-trichloroethane 45.83
    2-aminoethanol 33.14
    morpholine-4-carbaldehyde 120.17
    sulfolane 310.48
    2,2,4-trimethylpentane 5.16
    2-methyltetrahydrofuran 107.37
    n-hexyl acetate 67.76
    isooctane 3.69
    2-(2-butoxyethoxy)ethanol 100.85
    sec-butyl acetate 31.73
    tert-butyl acetate 56.17
    decalin 6.89
    glycerin 40.49
    diglyme 153.96
    acrylic acid 23.77
    isopropyl myristate 25.94
    n-butyric acid 51.66
    acetyl acetate 16.43
    di(2-ethylhexyl) phthalate 29.65
    ethyl propionate 28.81
    nitromethane 39.21
    1,2-diethoxyethane 55.77
    benzonitrile 22.85
    trioctyl phosphate 24.91
    1-bromopropane 32.04
    gamma-valerolactone 169.67
    n-decanol 24.15
    triethyl phosphate 27.39
    4-methyl-2-pentanol 23.22
    propionitrile 13.36
    vinylene carbonate 40.69
    1,1,2-trichlorotrifluoroethane 108.67
    DMS 31.65
    cumene 12.82
    2-octanol 31.94
    2-hexanone 46.84
    octyl acetate 33.78
    limonene 26.18
    1,2-dimethoxyethane 95.71
    ethyl orthosilicate 29.62
    tributyl phosphate 26.83
    diacetone alcohol 84.26
    N,N-dimethylaniline 32.38
    acrylonitrile 14.91
    aniline 23.7
    1,3-propanediol 44.47
    bromobenzene 19.07
    dibromomethane 52.75
    1,1,2,2-tetrachloroethane 114.54
    2-methyl-cyclohexyl acetate 55.18
    tetrabutyl urea 46.55
    diisobutyl methanol 24.0
    2-phenylethanol 35.87
    styrene 12.63
    dioctyl adipate 42.65
    dimethyl sulfate 41.74
    ethyl butyrate 36.9
    methyl lactate 29.61
    butyl lactate 63.36
    diethyl carbonate 20.91
    propanediol butyl ether 84.44
    triethyl orthoformate 37.73
    p-tert-butyltoluene 17.47
    methyl 4-tert-butylbenzoate 73.82
    morpholine 91.59
    tert-butylamine 42.05
    n-dodecanol 16.64
    dimethoxymethane 61.61
    ethylene carbonate 37.13
    cyrene 77.13
    2-ethoxyethyl acetate 65.53
    2-ethylhexyl acetate 43.99
    1,2,4-trichlorobenzene 35.74
    4-methylpyridine 39.0
    dibutyl ether 32.13
    2,6-dimethyl-4-heptanol 24.0
    DEF 58.15
    dimethyl isosorbide 131.76
    tetrachloroethylene 72.27
    eugenol 65.06
    triacetin 66.1
    span 80 73.43
    1,4-butanediol 20.81
    1,1-dichloroethane 37.83
    2-methyl-1-pentanol 34.0
    methyl formate 20.72
    2-methyl-1-butanol 34.28
    n-decane 4.99
    butyronitrile 18.23
    3,7-dimethyl-1-octanol 32.99
    1-chlorooctane 21.66
    1-chlorotetradecane 7.7
    n-nonane 4.67
    undecane 3.37
    tert-butylcyclohexane 6.47
    cyclooctane 5.1
    cyclopentanol 80.5
    tetrahydropyran 73.35
    tert-amyl methyl ether 41.46
    2,5,8-trioxanonane 105.02
    1-hexene 14.96
    2-isopropoxyethanol 56.56
    2,2,2-trifluoroethanol 16.94
    methyl butyrate 43.61

    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