Arbutinyl undecylenate

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  • Identifiers

    CAS number
    681212-44-2

    Molecular formula
    C23H34O8

    SMILES
    C=CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 45.27%
    Sweet 32.85%
    Spicy 28.6%
    Milky 25.21%
    Lactonic 23.45%
    Balsamic 23.25%
    Citrus 21.46%
    Fatty 20.91%
    Fresh 20.49%
    Vanilla 20.47%

     

    Flavor
    Bitter 43.89%
    Bland 31.02%
    Odorless 30.38%
    Waxy 28.57%
    Mild 27.78%
    Oily 24.65%
    Fatty 23.15%
    Sweet-like 22.51%
    Cedarleaf 21.62%
    Parsley 20.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.47 (neutral)

    Molecular weight
    438.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    847°C

    Flash point

    • 233.57 ˚C est.

  • Synonyms

    • Arbutinyl undecylenate
    • V0I0J1Q07U
    • 681212-44-2
    • UNII-V0I0J1Q07U
    • Arbutinyl undecylenate [INCI]
    • CHEMBL398600
    • beta-D-Glucopyranoside, 4-hydroxyphenyl, 6-(10-undecenoate)
    • Q27291377
    • .BETA.-D-GLUCOPYRANOSIDE, 4-HYDROXYPHENYL, 6-(10-UNDECENOATE)
    • 681212-44-2

  • Applications

    Arbutinyl undecylenate is used primarily in cosmetics and personal care as an emollient and conditioning ester; it may act as a precursor or carrier for arbutin in topical formulations, enabling delivery of arbutin in a lipophilic form and supporting controlled release and distribution of the active; in fragrance applications, it could serve as a lipophilic component that can blend with fragrance systems or carry aroma compounds; in industrial manufacturing, it can function as a precursor to synthesize complex arbutin-derived esters for specialty applications; and due to its formulation-friendly properties, it may serve as a versatile additive in emulsions or other formulation matrices, depending on regulatory requirements and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.39
    methanol 146.48
    isopropanol 28.39
    water 2.31
    ethyl acetate 35.46
    n-propanol 39.2
    acetone 168.07
    n-butanol 30.37
    acetonitrile 19.39
    DMF 163.84
    toluene 6.14
    isobutanol 16.63
    1,4-dioxane 76.51
    methyl acetate 36.19
    THF 225.61
    2-butanone 57.94
    n-pentanol 17.35
    sec-butanol 26.45
    n-hexane 0.32
    ethylene glycol 32.14
    NMP 162.32
    cyclohexane 1.35
    DMSO 1123.64
    n-butyl acetate 5.97
    n-octanol 11.29
    chloroform 13.49
    n-propyl acetate 10.27
    acetic acid 269.24
    dichloromethane 17.38
    cyclohexanone 84.24
    propylene glycol 48.56
    isopropyl acetate 19.38
    DMAc 310.73
    2-ethoxyethanol 105.76
    isopentanol 19.13
    n-heptane 0.56
    ethyl formate 23.2
    1,2-dichloroethane 20.33
    n-hexanol 8.41
    2-methoxyethanol 233.15
    isobutyl acetate 5.07
    tetrachloromethane 2.89
    n-pentyl acetate 13.76
    transcutol 224.91
    n-heptanol 11.21
    ethylbenzene 2.54
    MIBK 20.22
    2-propoxyethanol 44.51
    tert-butanol 31.37
    MTBE 14.52
    2-butoxyethanol 39.06
    propionic acid 53.11
    o-xylene 5.28
    formic acid 175.24
    diethyl ether 15.14
    m-xylene 4.06
    p-xylene 3.08
    chlorobenzene 4.39
    dimethyl carbonate 32.96
    n-octane 0.46
    formamide 235.04
    cyclopentanone 121.93
    2-pentanone 46.61
    anisole 10.06
    cyclopentyl methyl ether 36.75
    gamma-butyrolactone 109.98
    1-methoxy-2-propanol 123.86
    pyridine 33.79
    3-pentanone 28.96
    furfural 66.36
    n-dodecane 0.43
    diethylene glycol 58.8
    diisopropyl ether 3.2
    tert-amyl alcohol 28.49
    acetylacetone 99.43
    n-hexadecane 0.48
    acetophenone 17.32
    methyl propionate 39.21
    isopentyl acetate 7.59
    trichloroethylene 34.77
    n-nonanol 11.44
    cyclohexanol 30.98
    benzyl alcohol 19.52
    2-ethylhexanol 4.53
    isooctanol 8.74
    dipropyl ether 5.28
    1,2-dichlorobenzene 4.76
    ethyl lactate 17.35
    propylene carbonate 34.59
    n-methylformamide 89.41
    2-pentanol 15.33
    n-pentane 0.48
    1-propoxy-2-propanol 26.77
    1-methoxy-2-propyl acetate 21.69
    2-(2-methoxypropoxy) propanol 39.37
    mesitylene 2.39
    ε-caprolactone 60.78
    p-cymene 2.02
    epichlorohydrin 95.49
    1,1,1-trichloroethane 10.94
    2-aminoethanol 62.17
    morpholine-4-carbaldehyde 128.54
    sulfolane 255.46
    2,2,4-trimethylpentane 0.49
    2-methyltetrahydrofuran 56.01
    n-hexyl acetate 18.27
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 62.82
    sec-butyl acetate 7.23
    tert-butyl acetate 22.8
    decalin 0.62
    glycerin 99.39
    diglyme 113.62
    acrylic acid 62.46
    isopropyl myristate 6.28
    n-butyric acid 63.8
    acetyl acetate 31.19
    di(2-ethylhexyl) phthalate 9.18
    ethyl propionate 10.5
    nitromethane 287.26
    1,2-diethoxyethane 28.01
    benzonitrile 8.67
    trioctyl phosphate 7.59
    1-bromopropane 5.69
    gamma-valerolactone 176.26
    n-decanol 8.14
    triethyl phosphate 6.98
    4-methyl-2-pentanol 7.7
    propionitrile 9.52
    vinylene carbonate 27.76
    1,1,2-trichlorotrifluoroethane 111.11
    DMS 17.85
    cumene 1.93
    2-octanol 7.3
    2-hexanone 15.02
    octyl acetate 10.92
    limonene 3.67
    1,2-dimethoxyethane 82.05
    ethyl orthosilicate 6.91
    tributyl phosphate 8.03
    diacetone alcohol 64.41
    N,N-dimethylaniline 9.03
    acrylonitrile 16.36
    aniline 17.59
    1,3-propanediol 94.68
    bromobenzene 3.43
    dibromomethane 8.33
    1,1,2,2-tetrachloroethane 33.0
    2-methyl-cyclohexyl acetate 9.14
    tetrabutyl urea 13.92
    diisobutyl methanol 3.4
    2-phenylethanol 11.47
    styrene 2.91
    dioctyl adipate 14.0
    dimethyl sulfate 77.62
    ethyl butyrate 6.59
    methyl lactate 51.28
    butyl lactate 19.56
    diethyl carbonate 5.22
    propanediol butyl ether 44.08
    triethyl orthoformate 7.81
    p-tert-butyltoluene 2.1
    methyl 4-tert-butylbenzoate 24.66
    morpholine 113.34
    tert-butylamine 8.47
    n-dodecanol 5.49
    dimethoxymethane 121.38
    ethylene carbonate 25.18
    cyrene 43.95
    2-ethoxyethyl acetate 28.71
    2-ethylhexyl acetate 4.74
    1,2,4-trichlorobenzene 8.03
    4-methylpyridine 21.26
    dibutyl ether 7.29
    2,6-dimethyl-4-heptanol 3.4
    DEF 56.49
    dimethyl isosorbide 51.03
    tetrachloroethylene 22.13
    eugenol 23.59
    triacetin 33.76
    span 80 33.25
    1,4-butanediol 28.89
    1,1-dichloroethane 10.77
    2-methyl-1-pentanol 14.22
    methyl formate 68.32
    2-methyl-1-butanol 19.19
    n-decane 0.75
    butyronitrile 9.59
    3,7-dimethyl-1-octanol 8.09
    1-chlorooctane 3.42
    1-chlorotetradecane 1.39
    n-nonane 0.63
    undecane 0.56
    tert-butylcyclohexane 0.41
    cyclooctane 0.63
    cyclopentanol 43.35
    tetrahydropyran 48.03
    tert-amyl methyl ether 14.26
    2,5,8-trioxanonane 84.08
    1-hexene 1.37
    2-isopropoxyethanol 42.93
    2,2,2-trifluoroethanol 78.95
    methyl butyrate 15.55

    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