3-O-(2,3-Dihydroxypropyl)-2-O-hexyl-L-ascorbic acid

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  • Identifiers

    CAS number
    1120360-70-4

    Molecular formula
    C15H26O8

    SMILES
    CCCCCCOC1=C([C@H](OC1=O)[C@H](CO)O)OCC(CO)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 53.8%
    Sweet 35.45%
    Odorless 35.25%
    Buttery 35.12%
    Oily 34.5%
    Lactonic 32.3%
    Caramellic 28.44%
    Peach 25.93%
    Fatty 25.54%
    Milky 25.08%

     

    Flavor
    Odorless 40.41%
    Bland 30.68%
    Bitter 29.62%
    Sweet-like 28.23%
    Waxy 27.35%
    Fatty 27.06%
    Sweet 26.99%
    Mild 25.32%
    Very mild 24.61%
    Creamy 22.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    5.62 (weak acid)

    Molecular weight
    334.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1154°C

    Flash point

    • 229.26 ˚C est.

  • Synonyms

    • 3-O-(2,3-Dihydroxypropyl)-2-O-hexyl-L-ascorbic acid
    • DTXSID901225173
    • (5R)-5-[(1S)-1,2-Dihydroxyethyl]-4-(2,3-dihydroxypropoxy)-3-(hexyloxy)furan-2(5H)-one
    • 1120360-70-4
    • 1120360-70-4

  • Applications

    Chemical name: 3-O-(2,3-Dihydroxypropyl)-2-O-hexyl-L-ascorbic acid; CAS number: 1120360-70-4 is a lipophilic derivative of ascorbic acid that functions primarily as an antioxidant and stabilizer. In cosmetics and personal care, it serves as an antioxidant and skin-conditioning ingredient, helping stabilize vitamin C–based formulations in serums and creams, and its lipophilic character can improve formulation durability in oil-rich systems. In coatings and polymer formulations, it is used as an antioxidant/stabilizer to resist oxidative degradation during processing and service. In industrial manufacturing, it can act as an intermediate or building block for synthesizing further ascorbate esters and related derivatives, supporting development of new products. In pharmaceutical contexts, it may be employed as an intermediate in organic synthesis or formulation development for ascorbate-based compounds, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 139.26
    methanol 522.62
    isopropanol 44.45
    water 73.99
    ethyl acetate 41.93
    n-propanol 78.78
    acetone 93.98
    n-butanol 53.08
    acetonitrile 39.66
    DMF 605.49
    toluene 5.37
    isobutanol 37.6
    1,4-dioxane 48.48
    methyl acetate 53.2
    THF 72.45
    2-butanone 42.74
    n-pentanol 29.21
    sec-butanol 34.9
    n-hexane 0.57
    ethylene glycol 416.01
    NMP 616.67
    cyclohexane 2.53
    DMSO 1485.07
    n-butyl acetate 22.77
    n-octanol 15.53
    chloroform 44.98
    n-propyl acetate 22.03
    acetic acid 910.22
    dichloromethane 63.11
    cyclohexanone 98.65
    propylene glycol 269.7
    isopropyl acetate 25.79
    DMAc 508.47
    2-ethoxyethanol 164.44
    isopentanol 38.22
    n-heptane 0.91
    ethyl formate 73.73
    1,2-dichloroethane 59.74
    n-hexanol 25.15
    2-methoxyethanol 470.22
    isobutyl acetate 12.85
    tetrachloromethane 7.76
    n-pentyl acetate 21.84
    transcutol 329.83
    n-heptanol 21.1
    ethylbenzene 4.21
    MIBK 23.52
    2-propoxyethanol 109.55
    tert-butanol 53.49
    MTBE 12.09
    2-butoxyethanol 81.03
    propionic acid 229.6
    o-xylene 8.4
    formic acid 1604.8
    diethyl ether 8.68
    m-xylene 6.01
    p-xylene 5.58
    chlorobenzene 12.59
    dimethyl carbonate 79.52
    n-octane 0.71
    formamide 1410.18
    cyclopentanone 142.43
    2-pentanone 31.6
    anisole 14.45
    cyclopentyl methyl ether 27.69
    gamma-butyrolactone 265.44
    1-methoxy-2-propanol 208.84
    pyridine 52.95
    3-pentanone 27.5
    furfural 255.03
    n-dodecane 0.73
    diethylene glycol 261.54
    diisopropyl ether 4.04
    tert-amyl alcohol 46.59
    acetylacetone 98.36
    n-hexadecane 0.79
    acetophenone 40.77
    methyl propionate 63.18
    isopentyl acetate 22.63
    trichloroethylene 115.41
    n-nonanol 15.02
    cyclohexanol 50.26
    benzyl alcohol 48.57
    2-ethylhexanol 12.52
    isooctanol 16.55
    dipropyl ether 7.37
    1,2-dichlorobenzene 19.2
    ethyl lactate 67.58
    propylene carbonate 137.93
    n-methylformamide 432.08
    2-pentanol 21.51
    n-pentane 0.86
    1-propoxy-2-propanol 60.7
    1-methoxy-2-propyl acetate 56.09
    2-(2-methoxypropoxy) propanol 86.16
    mesitylene 5.09
    ε-caprolactone 126.92
    p-cymene 5.9
    epichlorohydrin 148.86
    1,1,1-trichloroethane 25.29
    2-aminoethanol 379.6
    morpholine-4-carbaldehyde 355.1
    sulfolane 681.75
    2,2,4-trimethylpentane 1.1
    2-methyltetrahydrofuran 35.21
    n-hexyl acetate 26.26
    isooctane 0.6
    2-(2-butoxyethoxy)ethanol 108.61
    sec-butyl acetate 14.03
    tert-butyl acetate 32.95
    decalin 1.48
    glycerin 662.41
    diglyme 174.17
    acrylic acid 356.86
    isopropyl myristate 9.6
    n-butyric acid 185.51
    acetyl acetate 59.22
    di(2-ethylhexyl) phthalate 25.13
    ethyl propionate 21.33
    nitromethane 729.33
    1,2-diethoxyethane 26.32
    benzonitrile 30.74
    trioctyl phosphate 19.16
    1-bromopropane 10.61
    gamma-valerolactone 292.85
    n-decanol 10.87
    triethyl phosphate 24.19
    4-methyl-2-pentanol 14.51
    propionitrile 23.8
    vinylene carbonate 136.16
    1,1,2-trichlorotrifluoroethane 474.6
    DMS 51.98
    cumene 4.5
    2-octanol 10.38
    2-hexanone 17.07
    octyl acetate 15.97
    limonene 9.08
    1,2-dimethoxyethane 91.95
    ethyl orthosilicate 19.5
    tributyl phosphate 20.8
    diacetone alcohol 101.53
    N,N-dimethylaniline 18.22
    acrylonitrile 70.36
    aniline 28.95
    1,3-propanediol 326.6
    bromobenzene 9.65
    dibromomethane 29.17
    1,1,2,2-tetrachloroethane 91.85
    2-methyl-cyclohexyl acetate 25.08
    tetrabutyl urea 32.71
    diisobutyl methanol 8.47
    2-phenylethanol 36.27
    styrene 4.99
    dioctyl adipate 26.39
    dimethyl sulfate 221.11
    ethyl butyrate 18.84
    methyl lactate 190.3
    butyl lactate 51.54
    diethyl carbonate 18.66
    propanediol butyl ether 110.59
    triethyl orthoformate 19.7
    p-tert-butyltoluene 5.84
    methyl 4-tert-butylbenzoate 59.41
    morpholine 87.53
    tert-butylamine 16.94
    n-dodecanol 8.17
    dimethoxymethane 138.47
    ethylene carbonate 100.27
    cyrene 149.62
    2-ethoxyethyl acetate 45.51
    2-ethylhexyl acetate 15.12
    1,2,4-trichlorobenzene 31.41
    4-methylpyridine 33.23
    dibutyl ether 5.97
    2,6-dimethyl-4-heptanol 8.47
    DEF 103.43
    dimethyl isosorbide 114.52
    tetrachloroethylene 68.43
    eugenol 62.44
    triacetin 67.67
    span 80 75.75
    1,4-butanediol 123.21
    1,1-dichloroethane 21.88
    2-methyl-1-pentanol 27.15
    methyl formate 278.6
    2-methyl-1-butanol 39.84
    n-decane 1.02
    butyronitrile 15.98
    3,7-dimethyl-1-octanol 14.71
    1-chlorooctane 4.72
    1-chlorotetradecane 2.3
    n-nonane 0.87
    undecane 0.84
    tert-butylcyclohexane 0.93
    cyclooctane 1.24
    cyclopentanol 64.23
    tetrahydropyran 21.4
    tert-amyl methyl ether 14.84
    2,5,8-trioxanonane 134.97
    1-hexene 1.87
    2-isopropoxyethanol 73.56
    2,2,2-trifluoroethanol 493.58
    methyl butyrate 34.5

    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