Xylityl 1-caprylate

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  • Identifiers

    CAS number
    181632-90-6

    Molecular formula
    C13H26O6

    SMILES
    CCCCCCCC(=O)OC[C@H]([C@@H]([C@H](CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 48.82%
    Oily 45.15%
    Fatty 40.01%
    Odorless 39.77%
    Buttery 37.75%
    Lactonic 35.96%
    Peach 33.81%
    Sweet 31.97%
    Milky 29.15%
    Fresh 28.97%

     

    Flavor
    Odorless 49.64%
    Sweet 40.9%
    Waxy 33.08%
    Mild 30.83%
    Bland 29.42%
    Sweet-like 28.19%
    Fatty 27.25%
    Fruity 24.74%
    Creamy 21.82%
    Oily 21.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    6.2 (neutral)

    Molecular weight
    278.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    493°C

    Flash point

    • 211.13 ˚C est.

  • Synonyms

    • Xylityl 1-caprylate
    • NYE7YKH9FT
    • 181632-90-6
    • RefChem:1101094
    • Xylitol, 1-octanoate
    • UNII-NYE7YKH9FT
    • DTXSID401371375
    • 181632-90-6

  • Applications

    Xylityl 1-caprylate (CAS 181632-90-6) is used in cosmetics and personal care as a skin-conditioning emollient and humectant, delivering a light, non-greasy feel while helping to retain moisture in moisturizers, serums, and cleansers. It may also function as a solvent and carrier for fragrance oils and actives in perfumery and cosmetic formulations. In industrial and materials contexts, it can act as a plasticizer or processing aid in certain polymer and coating systems, contributing to texture and compatibility. In pharmaceutical applications, it is used as an excipient or formulation aid in topical products, subject to regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.14
    methanol 400.93
    isopropanol 28.55
    water 27.3
    ethyl acetate 42.4
    n-propanol 43.68
    acetone 60.31
    n-butanol 37.22
    acetonitrile 14.48
    DMF 449.88
    toluene 4.46
    isobutanol 24.87
    1,4-dioxane 64.04
    methyl acetate 26.09
    THF 96.36
    2-butanone 25.54
    n-pentanol 20.67
    sec-butanol 24.65
    n-hexane 0.61
    ethylene glycol 223.93
    NMP 333.75
    cyclohexane 3.41
    DMSO 1681.51
    n-butyl acetate 15.35
    n-octanol 12.88
    chloroform 9.57
    n-propyl acetate 18.09
    acetic acid 382.63
    dichloromethane 12.56
    cyclohexanone 83.34
    propylene glycol 171.05
    isopropyl acetate 30.09
    DMAc 391.1
    2-ethoxyethanol 184.66
    isopentanol 38.5
    n-heptane 1.13
    ethyl formate 33.16
    1,2-dichloroethane 18.7
    n-hexanol 19.51
    2-methoxyethanol 463.9
    isobutyl acetate 10.59
    tetrachloromethane 3.3
    n-pentyl acetate 14.63
    transcutol 394.46
    n-heptanol 15.33
    ethylbenzene 3.83
    MIBK 28.99
    2-propoxyethanol 102.01
    tert-butanol 75.46
    MTBE 17.8
    2-butoxyethanol 60.77
    propionic acid 102.94
    o-xylene 8.49
    formic acid 697.62
    diethyl ether 9.77
    m-xylene 7.13
    p-xylene 5.07
    chlorobenzene 5.55
    dimethyl carbonate 36.33
    n-octane 0.84
    formamide 731.8
    cyclopentanone 99.9
    2-pentanone 32.32
    anisole 13.65
    cyclopentyl methyl ether 39.74
    gamma-butyrolactone 155.46
    1-methoxy-2-propanol 239.55
    pyridine 25.2
    3-pentanone 21.22
    furfural 134.87
    n-dodecane 0.66
    diethylene glycol 222.15
    diisopropyl ether 5.85
    tert-amyl alcohol 55.06
    acetylacetone 109.57
    n-hexadecane 0.73
    acetophenone 30.57
    methyl propionate 42.15
    isopentyl acetate 18.53
    trichloroethylene 33.01
    n-nonanol 12.66
    cyclohexanol 52.14
    benzyl alcohol 30.54
    2-ethylhexanol 10.98
    isooctanol 13.94
    dipropyl ether 7.88
    1,2-dichlorobenzene 9.12
    ethyl lactate 39.19
    propylene carbonate 71.6
    n-methylformamide 206.22
    2-pentanol 21.07
    n-pentane 0.76
    1-propoxy-2-propanol 55.96
    1-methoxy-2-propyl acetate 48.01
    2-(2-methoxypropoxy) propanol 74.75
    mesitylene 6.61
    ε-caprolactone 86.24
    p-cymene 5.01
    epichlorohydrin 84.8
    1,1,1-trichloroethane 9.88
    2-aminoethanol 248.7
    morpholine-4-carbaldehyde 271.92
    sulfolane 452.95
    2,2,4-trimethylpentane 1.23
    2-methyltetrahydrofuran 40.01
    n-hexyl acetate 20.9
    isooctane 0.85
    2-(2-butoxyethoxy)ethanol 109.63
    sec-butyl acetate 13.62
    tert-butyl acetate 46.58
    decalin 1.64
    glycerin 399.54
    diglyme 198.69
    acrylic acid 125.78
    isopropyl myristate 8.55
    n-butyric acid 112.67
    acetyl acetate 45.23
    di(2-ethylhexyl) phthalate 16.6
    ethyl propionate 18.0
    nitromethane 392.52
    1,2-diethoxyethane 31.26
    benzonitrile 15.87
    trioctyl phosphate 13.22
    1-bromopropane 4.05
    gamma-valerolactone 212.23
    n-decanol 9.33
    triethyl phosphate 16.45
    4-methyl-2-pentanol 16.31
    propionitrile 9.48
    vinylene carbonate 55.6
    1,1,2-trichlorotrifluoroethane 217.95
    DMS 31.83
    cumene 4.21
    2-octanol 8.38
    2-hexanone 14.54
    octyl acetate 12.35
    limonene 7.76
    1,2-dimethoxyethane 132.12
    ethyl orthosilicate 15.29
    tributyl phosphate 14.88
    diacetone alcohol 127.06
    N,N-dimethylaniline 17.14
    acrylonitrile 20.94
    aniline 16.85
    1,3-propanediol 285.77
    bromobenzene 4.55
    dibromomethane 7.02
    1,1,2,2-tetrachloroethane 35.1
    2-methyl-cyclohexyl acetate 19.86
    tetrabutyl urea 23.05
    diisobutyl methanol 9.63
    2-phenylethanol 23.06
    styrene 3.71
    dioctyl adipate 22.75
    dimethyl sulfate 117.47
    ethyl butyrate 14.99
    methyl lactate 96.83
    butyl lactate 33.16
    diethyl carbonate 12.03
    propanediol butyl ether 84.05
    triethyl orthoformate 16.0
    p-tert-butyltoluene 5.55
    methyl 4-tert-butylbenzoate 47.34
    morpholine 103.12
    tert-butylamine 20.63
    n-dodecanol 7.15
    dimethoxymethane 128.83
    ethylene carbonate 47.18
    cyrene 103.92
    2-ethoxyethyl acetate 33.4
    2-ethylhexyl acetate 11.56
    1,2,4-trichlorobenzene 14.16
    4-methylpyridine 18.81
    dibutyl ether 6.85
    2,6-dimethyl-4-heptanol 9.63
    DEF 94.54
    dimethyl isosorbide 111.72
    tetrachloroethylene 29.73
    eugenol 47.6
    triacetin 50.46
    span 80 65.77
    1,4-butanediol 95.71
    1,1-dichloroethane 6.31
    2-methyl-1-pentanol 24.09
    methyl formate 124.35
    2-methyl-1-butanol 31.8
    n-decane 1.04
    butyronitrile 9.71
    3,7-dimethyl-1-octanol 14.88
    1-chlorooctane 3.8
    1-chlorotetradecane 1.92
    n-nonane 0.92
    undecane 0.78
    tert-butylcyclohexane 1.16
    cyclooctane 1.88
    cyclopentanol 56.37
    tetrahydropyran 27.21
    tert-amyl methyl ether 19.72
    2,5,8-trioxanonane 149.33
    1-hexene 1.66
    2-isopropoxyethanol 83.61
    2,2,2-trifluoroethanol 163.37
    methyl butyrate 29.12

    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