1,4-Anhydro-6-O-dodecanoyl-2,3-bis-O-(2-hydroxyethyl)hexitol

  • Identifiers

    Molecular formula
    C22H42O8

    SMILES
    CCCCCCCCCCCC(=O)OCC(C1C(C(CO1)OCCO)OCCO)O

  • Odor profile

    Fragrance
    Odorless 47.52%
    Oily 36.6%
    Waxy 31.37%
    Fatty 30.46%
    Alcoholic 29.53%
    Buttery 25.06%
    Lactonic 24.93%
    Fresh 23.95%
    Peach 23.65%
    Sweet 22.99%

     

    Flavor
    Waxy 43.91%
    Fatty 43.06%
    Odorless 36.59%
    Oily 33.78%
    Mild 32.63%
    Sweet 31.76%
    Bland 29.77%
    Creamy 27.05%
    Sweet-like 26.27%
    Mushroom 24.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    5.83 (weak acid)

    Molecular weight
    434.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    906°C

    Flash point

    • 228.44 ˚C est.

  • Synonyms

    • DTXSID70860052
    • FP35123
    • 1,4-Anhydro-6-O-dodecanoyl-2,3-bis-O-(2-hydroxyethyl)hexitol
  • Applications

    1,4-Anhydro-6-O-dodecanoyl-2,3-bis-O-(2-hydroxyethyl)hexitol is used as a building block for sugar-derived surfactants and nonionic emulsifiers, finding applications in cosmetic and household formulations; it may also serve as a plasticizer or processing aid in biopolymers or certain plastics to improve flexibility and compatibility; the molecule’s hydrophilic sugar-like portion together with a long lauroyl chain supports use as an emulsifier or co-emulsifier in creams, cleansers, and other personal care products; in coatings and inks, it can act as a surface-tension modifier and pigment dispersant; and it can be prepared as an intermediate for other sugar ester derivatives aimed at enhanced formulation compatibility, always subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 50.79
    methanol 182.04
    isopropanol 21.98
    water 39.36
    ethyl acetate 88.63
    n-propanol 44.39
    acetone 120.46
    n-butanol 31.16
    acetonitrile 53.16
    DMF 369.43
    toluene 17.79
    isobutanol 28.69
    1,4-dioxane 86.65
    methyl acetate 82.41
    THF 151.07
    2-butanone 74.64
    n-pentanol 27.45
    sec-butanol 26.44
    n-hexane 0.98
    ethylene glycol 54.36
    NMP 688.8
    cyclohexane 4.58
    DMSO 906.46
    n-butyl acetate 40.64
    n-octanol 24.4
    chloroform 134.27
    n-propyl acetate 53.72
    acetic acid 546.13
    dichloromethane 186.86
    cyclohexanone 196.33
    propylene glycol 54.0
    isopropyl acetate 59.3
    DMAc 554.94
    2-ethoxyethanol 130.45
    isopentanol 27.15
    n-heptane 1.61
    ethyl formate 88.7
    1,2-dichloroethane 119.09
    n-hexanol 18.27
    2-methoxyethanol 203.14
    isobutyl acetate 31.17
    tetrachloromethane 26.77
    n-pentyl acetate 71.34
    transcutol 310.51
    n-heptanol 27.29
    ethylbenzene 10.24
    MIBK 42.66
    2-propoxyethanol 84.53
    tert-butanol 29.05
    MTBE 19.55
    2-butoxyethanol 102.96
    propionic acid 177.19
    o-xylene 20.24
    formic acid 480.71
    diethyl ether 18.06
    m-xylene 15.99
    p-xylene 13.54
    chlorobenzene 33.5
    dimethyl carbonate 99.63
    n-octane 1.21
    formamide 488.19
    cyclopentanone 247.9
    2-pentanone 62.26
    anisole 28.04
    cyclopentyl methyl ether 75.97
    gamma-butyrolactone 396.51
    1-methoxy-2-propanol 124.04
    pyridine 97.17
    3-pentanone 61.48
    furfural 325.43
    n-dodecane 1.09
    diethylene glycol 99.91
    diisopropyl ether 8.06
    tert-amyl alcohol 34.32
    acetylacetone 173.06
    n-hexadecane 1.24
    acetophenone 71.23
    methyl propionate 106.83
    isopentyl acetate 40.14
    trichloroethylene 254.34
    n-nonanol 24.01
    cyclohexanol 57.61
    benzyl alcohol 50.38
    2-ethylhexanol 15.03
    isooctanol 22.99
    dipropyl ether 15.66
    1,2-dichlorobenzene 48.72
    ethyl lactate 74.34
    propylene carbonate 216.53
    n-methylformamide 237.26
    2-pentanol 18.28
    n-pentane 1.07
    1-propoxy-2-propanol 60.45
    1-methoxy-2-propyl acetate 80.93
    2-(2-methoxypropoxy) propanol 82.4
    mesitylene 10.8
    ε-caprolactone 238.62
    p-cymene 10.4
    epichlorohydrin 259.96
    1,1,1-trichloroethane 75.5
    2-aminoethanol 90.0
    morpholine-4-carbaldehyde 368.03
    sulfolane 788.67
    2,2,4-trimethylpentane 1.69
    2-methyltetrahydrofuran 85.85
    n-hexyl acetate 64.59
    isooctane 0.76
    2-(2-butoxyethoxy)ethanol 104.93
    sec-butyl acetate 37.09
    tert-butyl acetate 66.08
    decalin 2.86
    glycerin 143.94
    diglyme 238.57
    acrylic acid 226.66
    isopropyl myristate 19.51
    n-butyric acid 191.63
    acetyl acetate 121.42
    di(2-ethylhexyl) phthalate 33.02
    ethyl propionate 50.89
    nitromethane 669.53
    1,2-diethoxyethane 50.33
    benzonitrile 52.25
    trioctyl phosphate 26.34
    1-bromopropane 25.39
    gamma-valerolactone 406.08
    n-decanol 15.03
    triethyl phosphate 44.23
    4-methyl-2-pentanol 13.37
    propionitrile 32.22
    vinylene carbonate 222.94
    1,1,2-trichlorotrifluoroethane 408.25
    DMS 83.34
    cumene 8.79
    2-octanol 17.0
    2-hexanone 39.24
    octyl acetate 31.7
    limonene 15.41
    1,2-dimethoxyethane 116.57
    ethyl orthosilicate 36.51
    tributyl phosphate 31.33
    diacetone alcohol 106.61
    N,N-dimethylaniline 29.09
    acrylonitrile 66.07
    aniline 42.07
    1,3-propanediol 94.44
    bromobenzene 30.95
    dibromomethane 73.88
    1,1,2,2-tetrachloroethane 204.45
    2-methyl-cyclohexyl acetate 45.54
    tetrabutyl urea 44.55
    diisobutyl methanol 9.37
    2-phenylethanol 35.24
    styrene 11.65
    dioctyl adipate 45.9
    dimethyl sulfate 290.66
    ethyl butyrate 41.58
    methyl lactate 129.86
    butyl lactate 85.71
    diethyl carbonate 35.09
    propanediol butyl ether 90.43
    triethyl orthoformate 42.73
    p-tert-butyltoluene 9.74
    methyl 4-tert-butylbenzoate 94.37
    morpholine 135.73
    tert-butylamine 11.23
    n-dodecanol 10.05
    dimethoxymethane 139.15
    ethylene carbonate 175.13
    cyrene 141.56
    2-ethoxyethyl acetate 117.03
    2-ethylhexyl acetate 31.85
    1,2,4-trichlorobenzene 71.82
    4-methylpyridine 70.25
    dibutyl ether 17.17
    2,6-dimethyl-4-heptanol 9.37
    DEF 156.04
    dimethyl isosorbide 142.56
    tetrachloroethylene 145.0
    eugenol 85.48
    triacetin 153.17
    span 80 72.13
    1,4-butanediol 48.84
    1,1-dichloroethane 56.91
    2-methyl-1-pentanol 26.18
    methyl formate 183.86
    2-methyl-1-butanol 31.05
    n-decane 2.06
    butyronitrile 27.93
    3,7-dimethyl-1-octanol 19.21
    1-chlorooctane 11.87
    1-chlorotetradecane 4.17
    n-nonane 1.76
    undecane 1.41
    tert-butylcyclohexane 1.77
    cyclooctane 2.03
    cyclopentanol 73.04
    tetrahydropyran 58.81
    tert-amyl methyl ether 25.14
    2,5,8-trioxanonane 148.69
    1-hexene 3.79
    2-isopropoxyethanol 72.7
    2,2,2-trifluoroethanol 345.07
    methyl butyrate 74.75

    Scent© AI

1 of 4
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