2,5-Anhydro-5-(hydroxymethyl)-6-O-tetradecanoylundec-6-ulopyranose

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  • Identifiers

    CAS number
    27216-47-3

    Molecular formula
    C26H48O12

    SMILES
    CCCCCCCCCCCCCC(=O)O[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO

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  • Odor profile

    Fragrance
    Odorless 53.82%
    Sweet 33.93%
    Oily 29.49%
    Waxy 26.43%
    Lactonic 25.41%
    Fatty 25.14%
    Citrus 24.27%
    Milky 23.98%
    Fresh 22.7%
    Clean 20.67%

     

    Flavor
    Fatty 38.71%
    Odorless 38.53%
    Sweet 34.48%
    Waxy 32.94%
    Bitter 31.59%
    Bland 30.25%
    Mild 28.99%
    Sweet-like 27.57%
    Oily 26.54%
    Bay oil 22.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    4.83 (weak acid)

    Molecular weight
    552.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3129°C

    Flash point

    • 253.04 ˚C est.

  • Synonyms

    • DTXSID60949941
    • 2,5-Anhydro-5-(hydroxymethyl)-6-O-tetradecanoylundec-6-ulopyranose
    • RefChem:1060031
    • DTXCID301378116
    • alpha-D-Glucopyranoside, beta-D-fructofuranosyl, monotetradecanoate
    • [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] tetradecanoate
    • 27216-47-3
    • Sucrose, monomyristate
    • Monomyristic sucrose ester
    • EINECS 248-340-0
    • ZDHFXSHOJAMQQP-GNLNNVQDSA-N
    • 2,5-Anhydro-5-(hydroxymethyl)-6-O-tetradecanoyl-alpha-D-gluco-D-manno-undec-6-ulopyranose
    • 27216-47-3

  • Applications

    2,5-Anhydro-5-(hydroxymethyl)-6-O-tetradecanoylundec-6-ulopyranose (CAS 27216-47-3) is primarily used as a sugar-fatty acid ester (glycolipid) and functions as a nonionic surfactant and emulsifier in cosmetic and personal care formulations; it may also serve as a formulation aid and emulsifier in household and cleaning products; it can act as a dispersing and compatibility-enhancing additive in polymers and plastics, and may be employed as an intermediate for synthesizing more complex glycolipids; in coatings, inks, and related applications it can help stabilize dispersed components; it may also be considered as a solvent or solubilizer and formulation aid in pharmaceutical contexts, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.59
    methanol 197.3
    isopropanol 22.3
    water 31.46
    ethyl acetate 34.69
    n-propanol 40.76
    acetone 60.93
    n-butanol 24.52
    acetonitrile 18.68
    DMF 419.84
    toluene 6.87
    isobutanol 18.28
    1,4-dioxane 56.67
    methyl acetate 44.62
    THF 112.61
    2-butanone 42.26
    n-pentanol 16.01
    sec-butanol 20.16
    n-hexane 0.48
    ethylene glycol 95.0
    NMP 760.4
    cyclohexane 1.62
    DMSO 596.73
    n-butyl acetate 16.37
    n-octanol 9.53
    chloroform 30.47
    n-propyl acetate 17.07
    acetic acid 424.14
    dichloromethane 36.06
    cyclohexanone 96.88
    propylene glycol 96.97
    isopropyl acetate 21.85
    DMAc 441.26
    2-ethoxyethanol 82.14
    isopentanol 13.34
    n-heptane 0.66
    ethyl formate 44.93
    1,2-dichloroethane 28.13
    n-hexanol 11.67
    2-methoxyethanol 200.13
    isobutyl acetate 8.47
    tetrachloromethane 8.63
    n-pentyl acetate 23.68
    transcutol 105.16
    n-heptanol 13.01
    ethylbenzene 3.27
    MIBK 15.75
    2-propoxyethanol 62.37
    tert-butanol 17.6
    MTBE 8.82
    2-butoxyethanol 54.73
    propionic acid 112.7
    o-xylene 7.26
    formic acid 501.21
    diethyl ether 10.48
    m-xylene 5.02
    p-xylene 3.87
    chlorobenzene 9.88
    dimethyl carbonate 81.08
    n-octane 0.43
    formamide 397.26
    cyclopentanone 151.97
    2-pentanone 32.88
    anisole 10.78
    cyclopentyl methyl ether 38.54
    gamma-butyrolactone 258.82
    1-methoxy-2-propanol 115.24
    pyridine 50.92
    3-pentanone 30.38
    furfural 188.82
    n-dodecane 0.3
    diethylene glycol 86.45
    diisopropyl ether 2.8
    tert-amyl alcohol 18.69
    acetylacetone 75.53
    n-hexadecane 0.34
    acetophenone 28.24
    methyl propionate 60.6
    isopentyl acetate 13.33
    trichloroethylene 66.85
    n-nonanol 9.27
    cyclohexanol 29.17
    benzyl alcohol 24.74
    2-ethylhexanol 5.95
    isooctanol 8.24
    dipropyl ether 6.84
    1,2-dichlorobenzene 11.89
    ethyl lactate 39.43
    propylene carbonate 121.1
    n-methylformamide 231.03
    2-pentanol 11.77
    n-pentane 0.74
    1-propoxy-2-propanol 37.25
    1-methoxy-2-propyl acetate 43.63
    2-(2-methoxypropoxy) propanol 39.35
    mesitylene 2.96
    ε-caprolactone 119.94
    p-cymene 2.99
    epichlorohydrin 118.7
    1,1,1-trichloroethane 18.81
    2-aminoethanol 115.02
    morpholine-4-carbaldehyde 362.91
    sulfolane 594.49
    2,2,4-trimethylpentane 0.56
    2-methyltetrahydrofuran 49.87
    n-hexyl acetate 22.0
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 53.84
    sec-butyl acetate 11.38
    tert-butyl acetate 21.61
    decalin 0.77
    glycerin 235.22
    diglyme 93.24
    acrylic acid 178.44
    isopropyl myristate 5.5
    n-butyric acid 90.55
    acetyl acetate 41.64
    di(2-ethylhexyl) phthalate 13.31
    ethyl propionate 18.18
    nitromethane 353.73
    1,2-diethoxyethane 17.55
    benzonitrile 16.53
    trioctyl phosphate 10.83
    1-bromopropane 7.16
    gamma-valerolactone 314.04
    n-decanol 5.79
    triethyl phosphate 14.45
    4-methyl-2-pentanol 5.69
    propionitrile 14.26
    vinylene carbonate 114.49
    1,1,2-trichlorotrifluoroethane 256.31
    DMS 36.7
    cumene 2.34
    2-octanol 6.78
    2-hexanone 15.32
    octyl acetate 11.38
    limonene 5.64
    1,2-dimethoxyethane 56.83
    ethyl orthosilicate 11.73
    tributyl phosphate 11.02
    diacetone alcohol 55.35
    N,N-dimethylaniline 11.24
    acrylonitrile 32.56
    aniline 21.9
    1,3-propanediol 103.28
    bromobenzene 7.02
    dibromomethane 16.9
    1,1,2,2-tetrachloroethane 55.73
    2-methyl-cyclohexyl acetate 14.78
    tetrabutyl urea 17.17
    diisobutyl methanol 3.22
    2-phenylethanol 17.4
    styrene 3.73
    dioctyl adipate 14.41
    dimethyl sulfate 229.28
    ethyl butyrate 14.01
    methyl lactate 127.99
    butyl lactate 38.99
    diethyl carbonate 10.87
    propanediol butyl ether 56.64
    triethyl orthoformate 14.02
    p-tert-butyltoluene 3.04
    methyl 4-tert-butylbenzoate 40.81
    morpholine 99.36
    tert-butylamine 5.66
    n-dodecanol 3.68
    dimethoxymethane 127.33
    ethylene carbonate 81.55
    cyrene 105.73
    2-ethoxyethyl acetate 46.96
    2-ethylhexyl acetate 10.21
    1,2,4-trichlorobenzene 21.51
    4-methylpyridine 34.55
    dibutyl ether 4.45
    2,6-dimethyl-4-heptanol 3.22
    DEF 93.31
    dimethyl isosorbide 66.9
    tetrachloroethylene 44.36
    eugenol 37.32
    triacetin 53.61
    span 80 42.12
    1,4-butanediol 45.9
    1,1-dichloroethane 15.47
    2-methyl-1-pentanol 11.3
    methyl formate 170.94
    2-methyl-1-butanol 17.58
    n-decane 0.6
    butyronitrile 10.34
    3,7-dimethyl-1-octanol 5.95
    1-chlorooctane 3.13
    1-chlorotetradecane 1.1
    n-nonane 0.5
    undecane 0.41
    tert-butylcyclohexane 0.46
    cyclooctane 0.75
    cyclopentanol 49.7
    tetrahydropyran 31.95
    tert-amyl methyl ether 12.27
    2,5,8-trioxanonane 62.43
    1-hexene 1.73
    2-isopropoxyethanol 37.57
    2,2,2-trifluoroethanol 242.39
    methyl butyrate 27.27

    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