3-O-Cetyl ascorbic acid

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  • Identifiers

    CAS number
    88306-70-1

    Molecular formula
    C22H40O6

    SMILES
    CCCCCCCCCCCCCCCCOC1=C(C(=O)O[C@@H]1[C@H](CO)O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 49.41%
    Fatty 43.35%
    Odorless 39.95%
    Oily 36.37%
    Milky 25.65%
    Lactonic 24.99%
    Buttery 24.88%
    Sweet 23.2%
    Creamy 23.05%
    Citrus 22.48%

     

    Flavor
    Waxy 43.11%
    Fatty 35.99%
    Bland 35.7%
    Mild 34.89%
    Oily 33.84%
    Odorless 28.92%
    Faint 25.06%
    Slightly waxy 22.96%
    Creamy 22.64%
    Beer 21.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    6.2 (neutral)

    Molecular weight
    400.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    673°C

    Flash point

    • 212.72 ˚C est.

  • Synonyms

    • 3-O-Cetyl ascorbic acid
    • Nikkol VCE
    • 3-O-Hexadecyl-L-ascorbic acid
    • UNII-L0VNO92L8V
    • l-Ascorbic acid, 3-O-hexadecyl-
    • L0VNO92L8V
    • 3-O-Cetyl ascorbic acid [INCI]
    • 88306-70-1
    • DTXSID90236952
    • RefChem:95131
    • DTXCID20159443
    • Palmitylascorbat
    • SCHEMBL1726836
    • 3-O-n-hexadecyl-L-ascorbic acid
    • Q27282564
    • (5R)-5-[(1S)-1,2-Dihydroxyethyl]-4-(hexadecyloxy)-3-hydroxyfuran-2(5H)-one
    • 88306-70-1

  • Applications

    3-O-Cetyl ascorbic acid (CAS 88306-70-1) is a lipophilic derivative of ascorbic acid primarily used in cosmetics and personal care as an antioxidant and skin-conditioning agent, while also serving as a stabilizer and additive for oil-based formulations and emulsions. It is also regarded as a precursor or intermediate in the synthesis of other ascorbate derivatives and may function as an antioxidant additive in coatings and industrial printing. In the polymer and plastics sector, it can be used as an antioxidant stabilizer to enhance the lifespan of plastic products. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.37
    methanol 153.02
    isopropanol 62.12
    water 6.07
    ethyl acetate 154.84
    n-propanol 81.39
    acetone 235.89
    n-butanol 62.06
    acetonitrile 89.41
    DMF 420.17
    toluene 36.93
    isobutanol 59.69
    1,4-dioxane 147.17
    methyl acetate 156.53
    THF 409.94
    2-butanone 164.78
    n-pentanol 54.31
    sec-butanol 71.19
    n-hexane 3.94
    ethylene glycol 30.98
    NMP 745.11
    cyclohexane 17.33
    DMSO 905.68
    n-butyl acetate 91.21
    n-octanol 44.9
    chloroform 245.5
    n-propyl acetate 120.99
    acetic acid 276.08
    dichloromethane 302.13
    cyclohexanone 367.39
    propylene glycol 50.98
    isopropyl acetate 120.93
    DMAc 644.86
    2-ethoxyethanol 179.91
    isopentanol 61.95
    n-heptane 3.98
    ethyl formate 114.0
    1,2-dichloroethane 248.48
    n-hexanol 36.36
    2-methoxyethanol 234.18
    isobutyl acetate 72.17
    tetrachloromethane 62.64
    n-pentyl acetate 157.5
    transcutol 405.24
    n-heptanol 52.14
    ethylbenzene 25.46
    MIBK 93.51
    2-propoxyethanol 115.75
    tert-butanol 90.53
    MTBE 73.78
    2-butoxyethanol 171.85
    propionic acid 180.13
    o-xylene 41.31
    formic acid 150.06
    diethyl ether 54.55
    m-xylene 29.89
    p-xylene 36.0
    chlorobenzene 73.51
    dimethyl carbonate 123.83
    n-octane 3.81
    formamide 315.96
    cyclopentanone 481.82
    2-pentanone 134.25
    anisole 61.35
    cyclopentyl methyl ether 162.38
    gamma-butyrolactone 595.16
    1-methoxy-2-propanol 189.54
    pyridine 178.19
    3-pentanone 124.51
    furfural 362.51
    n-dodecane 2.74
    diethylene glycol 92.87
    diisopropyl ether 25.12
    tert-amyl alcohol 92.37
    acetylacetone 260.38
    n-hexadecane 3.18
    acetophenone 119.96
    methyl propionate 168.34
    isopentyl acetate 91.2
    trichloroethylene 427.48
    n-nonanol 43.56
    cyclohexanol 111.03
    benzyl alcohol 77.18
    2-ethylhexanol 30.06
    isooctanol 47.94
    dipropyl ether 33.97
    1,2-dichlorobenzene 91.4
    ethyl lactate 103.9
    propylene carbonate 303.03
    n-methylformamide 236.5
    2-pentanol 46.95
    n-pentane 3.99
    1-propoxy-2-propanol 94.19
    1-methoxy-2-propyl acetate 127.99
    2-(2-methoxypropoxy) propanol 108.24
    mesitylene 22.43
    ε-caprolactone 366.64
    p-cymene 20.64
    epichlorohydrin 438.01
    1,1,1-trichloroethane 206.87
    2-aminoethanol 73.28
    morpholine-4-carbaldehyde 423.38
    sulfolane 1059.63
    2,2,4-trimethylpentane 5.32
    2-methyltetrahydrofuran 231.16
    n-hexyl acetate 139.27
    isooctane 2.55
    2-(2-butoxyethoxy)ethanol 147.21
    sec-butyl acetate 85.75
    tert-butyl acetate 147.2
    decalin 8.82
    glycerin 97.34
    diglyme 333.39
    acrylic acid 166.92
    isopropyl myristate 38.07
    n-butyric acid 238.76
    acetyl acetate 145.3
    di(2-ethylhexyl) phthalate 48.49
    ethyl propionate 111.54
    nitromethane 503.45
    1,2-diethoxyethane 102.59
    benzonitrile 83.26
    trioctyl phosphate 41.56
    1-bromopropane 76.13
    gamma-valerolactone 588.39
    n-decanol 27.51
    triethyl phosphate 63.35
    4-methyl-2-pentanol 32.63
    propionitrile 72.51
    vinylene carbonate 235.22
    1,1,2-trichlorotrifluoroethane 445.52
    DMS 126.92
    cumene 21.64
    2-octanol 40.57
    2-hexanone 94.14
    octyl acetate 59.65
    limonene 32.92
    1,2-dimethoxyethane 200.84
    ethyl orthosilicate 58.82
    tributyl phosphate 49.58
    diacetone alcohol 196.07
    N,N-dimethylaniline 55.28
    acrylonitrile 107.22
    aniline 70.67
    1,3-propanediol 106.99
    bromobenzene 68.58
    dibromomethane 163.95
    1,1,2,2-tetrachloroethane 399.37
    2-methyl-cyclohexyl acetate 81.11
    tetrabutyl urea 70.4
    diisobutyl methanol 21.17
    2-phenylethanol 57.41
    styrene 28.97
    dioctyl adipate 76.16
    dimethyl sulfate 307.21
    ethyl butyrate 78.81
    methyl lactate 144.89
    butyl lactate 148.16
    diethyl carbonate 58.15
    propanediol butyl ether 129.83
    triethyl orthoformate 69.9
    p-tert-butyltoluene 20.42
    methyl 4-tert-butylbenzoate 150.97
    morpholine 226.65
    tert-butylamine 42.33
    n-dodecanol 18.82
    dimethoxymethane 195.2
    ethylene carbonate 220.71
    cyrene 171.61
    2-ethoxyethyl acetate 203.96
    2-ethylhexyl acetate 70.2
    1,2,4-trichlorobenzene 128.23
    4-methylpyridine 129.45
    dibutyl ether 42.46
    2,6-dimethyl-4-heptanol 21.17
    DEF 239.48
    dimethyl isosorbide 202.43
    tetrachloroethylene 270.66
    eugenol 122.61
    triacetin 199.02
    span 80 96.36
    1,4-butanediol 54.25
    1,1-dichloroethane 162.33
    2-methyl-1-pentanol 56.63
    methyl formate 176.44
    2-methyl-1-butanol 64.49
    n-decane 5.45
    butyronitrile 61.66
    3,7-dimethyl-1-octanol 38.92
    1-chlorooctane 29.72
    1-chlorotetradecane 9.6
    n-nonane 4.92
    undecane 3.65
    tert-butylcyclohexane 5.93
    cyclooctane 5.62
    cyclopentanol 155.42
    tetrahydropyran 155.54
    tert-amyl methyl ether 74.81
    2,5,8-trioxanonane 182.82
    1-hexene 14.06
    2-isopropoxyethanol 121.9
    2,2,2-trifluoroethanol 214.62
    methyl butyrate 161.38

    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