Hydroxyethyl-|A-cyclodextrin

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  • Identifiers

    CAS number
    98513-20-3

    Molecular formula
    C84H154O56

    SMILES
    CC(O)OCC1C2C(C(C(O1)OC3C(OC(C(C3OC(C)O)OC(C)O)OC4C(OC(C(C4OC(C)O)OC(C)O)OC5C(OC(C(C5OC(C)O)OC(C)O)OC6C(OC(C(C6OC(C)O)OC(C)O)OC7C(OC(C(C7OC(C)O)OC(C)O)OC8C(OC(O2)C(C8OC(C)O)OC(C)O)COC(C)O)COC(C)O)COC(C)O)COC(C)O)COC(C)O)COC(C)O)OC(C)O)OC(C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.9%
    Fruity 28.91%
    Alcoholic 25.97%
    Sweet 25.73%
    Fresh 17.68%
    Ethereal 16.72%
    Milky 15.83%
    Green 15.62%
    Bitter 15.43%
    Savory 15.21%

     

    Flavor
    Bitter 45.9%
    Odorless 44.8%
    Sweet 38.2%
    Fatty 34.71%
    Sweet-like 28.44%
    Very slight 21.83%
    Cauliflower 21.42%
    Bouillon 20.97%
    Mild 20.63%
    Alkaline 20.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -7.0

    pKa est.
    44.84 (strong base)

    Molecular weight
    2060.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    4167°C

    Flash point

    • -118.25 ˚C est.

  • Synonyms

    • Hydroxyethyl-|A-cyclodextrin
    • SCHEMBL21352629
    • 1-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-Tetradecakis(1-hydroxyethoxy)-10,15,20,25,30,35-hexakis(1-hydroxyethoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methoxy]ethanol
    • 98513-20-3
    • 98513-20-3

  • Applications

    Hydroxyethyl-|A-cyclodextrin (CAS 98513-20-3) is commonly used in formulation science as a solubilizer and carrier for hydrophobic actives, enabling improved solubility and stability of fragrances, flavors, and pharmaceutical excipients; it forms inclusion complexes that enable controlled release of volatile aroma compounds in cosmetics and personal care products; it is evaluated as an excipient in pharmaceutical formulations to enhance solubility of poorly soluble actives; in food processing, it can be used to encapsulate aroma compounds for flavor release; in agriculture, it may be used to improve solubility and delivery of agrochemicals; and in cleaning and household products, it supports odor capture and fragrance release in detergents and cleaners.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 151.84
    methanol 417.61
    isopropanol 72.39
    water 20.59
    ethyl acetate 138.99
    n-propanol 113.23
    acetone 224.99
    n-butanol 52.44
    acetonitrile 81.45
    DMF 1200.24
    toluene 19.01
    isobutanol 50.22
    1,4-dioxane 259.86
    methyl acetate 218.3
    THF 524.73
    2-butanone 167.63
    n-pentanol 42.12
    sec-butanol 53.81
    n-hexane 2.02
    ethylene glycol 156.38
    NMP 1876.89
    cyclohexane 3.69
    DMSO 1641.49
    n-butyl acetate 73.13
    n-octanol 21.13
    chloroform 227.45
    n-propyl acetate 100.28
    acetic acid 1202.58
    dichloromethane 272.95
    cyclohexanone 235.61
    propylene glycol 151.36
    isopropyl acetate 70.68
    DMAc 1343.23
    2-ethoxyethanol 328.42
    isopentanol 26.42
    n-heptane 2.58
    ethyl formate 222.7
    1,2-dichloroethane 144.41
    n-hexanol 23.11
    2-methoxyethanol 578.95
    isobutyl acetate 41.78
    tetrachloromethane 34.93
    n-pentyl acetate 59.02
    transcutol 360.11
    n-heptanol 22.89
    ethylbenzene 8.76
    MIBK 35.89
    2-propoxyethanol 250.94
    tert-butanol 45.84
    MTBE 27.68
    2-butoxyethanol 168.38
    propionic acid 335.27
    o-xylene 13.42
    formic acid 1101.84
    diethyl ether 45.36
    m-xylene 9.09
    p-xylene 13.7
    chlorobenzene 30.37
    dimethyl carbonate 237.26
    n-octane 1.29
    formamide 1057.95
    cyclopentanone 481.54
    2-pentanone 93.39
    anisole 39.22
    cyclopentyl methyl ether 101.99
    gamma-butyrolactone 972.28
    1-methoxy-2-propanol 304.27
    pyridine 228.54
    3-pentanone 78.01
    furfural 755.35
    n-dodecane 0.99
    diethylene glycol 264.34
    diisopropyl ether 8.2
    tert-amyl alcohol 40.52
    acetylacetone 192.4
    n-hexadecane 1.08
    acetophenone 77.3
    methyl propionate 198.39
    isopentyl acetate 46.05
    trichloroethylene 326.88
    n-nonanol 21.26
    cyclohexanol 45.02
    benzyl alcohol 60.03
    2-ethylhexanol 13.82
    isooctanol 14.96
    dipropyl ether 35.8
    1,2-dichlorobenzene 31.62
    ethyl lactate 120.91
    propylene carbonate 414.22
    n-methylformamide 777.03
    2-pentanol 24.09
    n-pentane 2.22
    1-propoxy-2-propanol 138.93
    1-methoxy-2-propyl acetate 135.7
    2-(2-methoxypropoxy) propanol 127.82
    mesitylene 5.08
    ε-caprolactone 333.43
    p-cymene 7.91
    epichlorohydrin 551.76
    1,1,1-trichloroethane 79.0
    2-aminoethanol 211.06
    morpholine-4-carbaldehyde 1143.47
    sulfolane 1503.78
    2,2,4-trimethylpentane 1.07
    2-methyltetrahydrofuran 192.69
    n-hexyl acetate 59.16
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 172.94
    sec-butyl acetate 45.73
    tert-butyl acetate 50.37
    decalin 1.68
    glycerin 349.59
    diglyme 392.15
    acrylic acid 490.28
    isopropyl myristate 17.31
    n-butyric acid 252.82
    acetyl acetate 149.54
    di(2-ethylhexyl) phthalate 31.64
    ethyl propionate 85.77
    nitromethane 1471.97
    1,2-diethoxyethane 76.61
    benzonitrile 46.54
    trioctyl phosphate 24.14
    1-bromopropane 45.56
    gamma-valerolactone 1147.72
    n-decanol 13.56
    triethyl phosphate 53.91
    4-methyl-2-pentanol 10.38
    propionitrile 54.74
    vinylene carbonate 433.15
    1,1,2-trichlorotrifluoroethane 875.53
    DMS 99.99
    cumene 6.18
    2-octanol 11.55
    2-hexanone 65.23
    octyl acetate 33.07
    limonene 11.81
    1,2-dimethoxyethane 385.98
    ethyl orthosilicate 45.09
    tributyl phosphate 29.25
    diacetone alcohol 100.83
    N,N-dimethylaniline 35.71
    acrylonitrile 115.75
    aniline 55.71
    1,3-propanediol 199.44
    bromobenzene 24.27
    dibromomethane 131.49
    1,1,2,2-tetrachloroethane 241.26
    2-methyl-cyclohexyl acetate 54.73
    tetrabutyl urea 47.4
    diisobutyl methanol 6.97
    2-phenylethanol 41.82
    styrene 11.67
    dioctyl adipate 47.59
    dimethyl sulfate 588.25
    ethyl butyrate 69.16
    methyl lactate 261.37
    butyl lactate 87.5
    diethyl carbonate 57.88
    propanediol butyl ether 132.82
    triethyl orthoformate 65.97
    p-tert-butyltoluene 7.17
    methyl 4-tert-butylbenzoate 84.73
    morpholine 385.01
    tert-butylamine 15.58
    n-dodecanol 8.94
    dimethoxymethane 433.62
    ethylene carbonate 309.17
    cyrene 236.71
    2-ethoxyethyl acetate 123.53
    2-ethylhexyl acetate 38.61
    1,2,4-trichlorobenzene 56.48
    4-methylpyridine 135.86
    dibutyl ether 19.26
    2,6-dimethyl-4-heptanol 6.97
    DEF 240.8
    dimethyl isosorbide 246.77
    tetrachloroethylene 159.68
    eugenol 80.92
    triacetin 149.17
    span 80 103.02
    1,4-butanediol 81.54
    1,1-dichloroethane 87.76
    2-methyl-1-pentanol 23.58
    methyl formate 688.59
    2-methyl-1-butanol 33.93
    n-decane 1.85
    butyronitrile 40.26
    3,7-dimethyl-1-octanol 12.68
    1-chlorooctane 8.33
    1-chlorotetradecane 3.0
    n-nonane 1.63
    undecane 1.27
    tert-butylcyclohexane 1.16
    cyclooctane 1.42
    cyclopentanol 110.21
    tetrahydropyran 125.36
    tert-amyl methyl ether 29.22
    2,5,8-trioxanonane 247.25
    1-hexene 7.42
    2-isopropoxyethanol 148.49
    2,2,2-trifluoroethanol 674.09
    methyl butyrate 135.02

    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