Alfadex

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  • Identifiers

    CAS number
    10016-20-3

    Molecular formula
    C36H60O30

    SMILES
    C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O

  • Odor profile

    Fragrance
    Odorless 80.41%
    Sweet 26.9%
    Alcoholic 21.3%
    Caramellic 17.16%
    Clean 15.46%
    Savory 15.25%
    Cooling 14.86%
    Milky 14.1%
    Fishy 13.96%
    Bitter 13.34%

     

    Flavor
    Sweet 75.26%
    Odorless 48.39%
    Bitter 45.59%
    Sweet-like 31.05%
    Fatty 27.48%
    Cauliflower 22.69%
    Very slight 21.41%
    Alkaline 20.85%
    Soup 20.39%
    Naphthalic 20.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -12.9

    pKa est.
    65.55 (strong base)

    Molecular weight
    972.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    4279°C

    Melting point expt.

    • 532 °F (decomposes) (NTP, 1992)

    Flash point

    • 581.6 ˚C est.

  • Synonyms

    • alpha-CYCLODEXTRIN
    • 10016-20-3
    • Cyclohexapentylose
    • Alfadex
    • Cyclomaltohexaose
    • a-cyclodextrin
    • alpha-Dextrin
    • Cyclohexaamylose
    • Cyclomaltohexose
    • alpha-Schardinger dextrin
    • .alpha.-Cyclodextrin
    • alpha cyclodextrin
    • alpha-Cycloamylose
    • Alfadexum
    • Alfadex [INN]
    • Dextrin, alpha-cyclo
    • Oristar acd
    • Ringdex-a
    • Alfadexum [INN-Latin]
    • Cavamax w6
    • Cyclohexaamylose carbonate
    • Cavamax w 6 food
    • Celdex a 100
    • Ins no.457
    • Z1LH97KTRM
    • Alfadex [INN:BAN:NF]
    • Dexy pearl .alpha.-100
    • EINECS 233-007-4
    • Ins-457
    • Alpha-Cyclodextrin (Cyclohexa-Amylose)
    • NSC 269470
    • DTXSID7030698
    • CHEBI:40585
    • ALFADEX [II]
    • ALFADEX [MART.]
    • ALFADEX [WHO-DD]
    • NSC-269470
    • ALFADEX [EP MONOGRAPH]
    • ALPHA-CYCLODEXTRIN [FCC]
    • DTXCID5010698
    • E-457
    • EC 233-007-4
    • .ALPHA.-CYCLODEXTRIN [MI]
    • ALPHA CYCLODEXTRIN [USP-RS]
    • NCGC00090767-02
    • Alfadexum (INN-Latin)
    • ALFADEX (II)
    • ALFADEX (MART.)
    • MFCD00078207
    • ALFADEX (EP MONOGRAPH)
    • ALPHA CYCLODEXTRIN (USP-RS)
    • (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
    • CAS-10016-20-3
    • UNII-Z1LH97KTRM
    • alpha-CD
    • 2zym
    • 3zst
    • 4fem
    • (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo(26.2.2.23,6.28,11.213,16.218,21.223,26)dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
    • (1S,3S,5R,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo(26.2.2.23,6.28,11.213,16.218,21.223,26)dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
    • (1S,3S,5R,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
    • 2,4,7,9,12,14,17,19,22,24,27,29-DODECAOXAHEPTACYCLO(26.2.2.23,6.28,11.213,16.218,21.223,26)DOTETRACONTANE, ALPHA-CYCLODEXTRIN DERIV.
    • 2,4,7,9,12,14,17,19,22,24,27,29-DODECAOXAHEPTACYCLO[26.2.2.23,6.28,11.213,16.218,21.223,26]DOTETRACONTANE, ALPHA-CYCLODEXTRIN DERIV.
    • Alfadex; Cyclohexakis-(1?4)-(a-D-glucopyranosyl) (cyclomaltohexaose); Cyclohexakis-(1?4)-(a-D-glucopyranosyl) a-cyclodextrin
    • alpha -Cyclodextrin
    • STEREOISOMER OF 5,10,15,20,25,30-HEXAKIS(HYDROXYMETHYL)-2,4,7,9,12,14,17,19,22,24,27,29-DODECAOXAHEPTACYCLO(26.2.2.23,6.28,11.213,16.218,21.223,26)DOTETRACONTANE-31,32,33,34,35,36,37,38,39,40,41,42-DODECOL
    • STEREOISOMER OF 5,10,15,20,25,30-HEXAKIS(HYDROXYMETHYL)-2,4,7,9,12,14,17,19,22,24,27,29-DODECAOXAHEPTACYCLO[26.2.2.23,6.28,11.213,16.218,21.223,26]DOTETRACONTANE-31,32,33,34,35,36,37,38,39,40,41,42-DODECOL
    • Alfadex (INN/NF)
    • CYCLOHEXADEXTRIN
    • RINGDEX A
    • 3ck7
    • BDBM4
    • aCD; ?CD
    • SCHEMBL24981
    • alpha-Cyclodextrin, >=98%
    • MLS001074882
    • DEXY PEARL ALPHA-100
    • CHEMBL1230813
    • hexakis(hydroxymethyl)[?]dodecol
    • HMS2232K21
    • HY-B1513
    • Tox21_111015
    • Tox21_201252
    • Tox21_300302
    • AKOS015900446
    • DB01909
    • OC06644
    • NCGC00090767-01
    • NCGC00090767-03
    • NCGC00090767-04
    • NCGC00253988-01
    • NCGC00258804-01
    • AS-10392
    • BP-31069
    • SMR000568406
    • CS-0013302
    • NS00007829
    • alpha-Cyclodextrin, purum, >=98.0% (HPLC)
    • D08846
    • I11498
    • Q27104460
    • Alfadex, European Pharmacopoeia (EP) Reference Standard
    • Alpha Cyclodextrin, United States Pharmacopeia (USP) Reference Standard
    • alpha-Cyclodextrin, powder, BioReagent, suitable for cell culture, >=98%
    • alpha-Cyclodextrin, produced by Wacker Chemie AG, Burghausen, Germany, >=99.0% (HPLC)
    • (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
    • 233-007-4
    • alpha-Cyclodextrin, FG, produced by Wacker Chemie AG, Burghausen, Germany, Food, >=98% (on dry substance)
    • alpha-Cyclodextrin, Produced by Wacker Chemie AG, Burghausen, Germany, Life Science, 98.0-101.0% cyclodextrin basis (HPLC)

  • Applications

    Alfadex (CAS 10016-20-3) is used as an intermediate in organic synthesis and as a processing solvent or aid in industrial formulations. It can function as a chelating agent and as a formulation additive in coatings, inks, and cleaning products. In polymers and plastics applications, it may serve as a processing aid or compatibility stabilizer with polymer matrices. The compound may also be evaluated as a co-solvent or surfactant to improve dispersion and formulation performance, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.44
    methanol 26.75
    isopropanol 2.52
    water 11.81
    ethyl acetate 2.42
    n-propanol 3.82
    acetone 3.19
    n-butanol 2.27
    acetonitrile 1.52
    DMF 45.65
    toluene 0.83
    isobutanol 1.3
    1,4-dioxane 7.48
    methyl acetate 2.48
    THF 14.26
    2-butanone 2.71
    n-pentanol 1.26
    sec-butanol 1.6
    n-hexane 0.08
    ethylene glycol 16.54
    NMP 60.39
    cyclohexane 0.21
    DMSO 61.94
    n-butyl acetate 1.38
    n-octanol 1.34
    chloroform 1.39
    n-propyl acetate 1.03
    acetic acid 27.47
    dichloromethane 1.85
    cyclohexanone 4.87
    propylene glycol 11.72
    isopropyl acetate 1.27
    DMAc 34.82
    2-ethoxyethanol 12.06
    isopentanol 0.91
    n-heptane 0.22
    ethyl formate 4.05
    1,2-dichloroethane 1.17
    n-hexanol 1.13
    2-methoxyethanol 31.23
    isobutyl acetate 0.4
    tetrachloromethane 0.44
    n-pentyl acetate 2.18
    transcutol 18.79
    n-heptanol 1.75
    ethylbenzene 0.26
    MIBK 0.78
    2-propoxyethanol 10.62
    tert-butanol 1.03
    MTBE 0.58
    2-butoxyethanol 9.44
    propionic acid 7.09
    o-xylene 0.59
    formic acid 84.15
    diethyl ether 1.53
    m-xylene 0.48
    p-xylene 0.25
    chlorobenzene 0.43
    dimethyl carbonate 6.28
    n-octane 0.13
    formamide 68.41
    cyclopentanone 9.3
    2-pentanone 2.33
    anisole 0.7
    cyclopentyl methyl ether 3.87
    gamma-butyrolactone 16.96
    1-methoxy-2-propanol 17.55
    pyridine 5.8
    3-pentanone 1.85
    furfural 18.22
    n-dodecane 0.07
    diethylene glycol 17.95
    diisopropyl ether 0.27
    tert-amyl alcohol 1.0
    acetylacetone 3.89
    n-hexadecane 0.08
    acetophenone 1.44
    methyl propionate 4.38
    isopentyl acetate 0.81
    trichloroethylene 2.29
    n-nonanol 1.3
    cyclohexanol 1.96
    benzyl alcohol 1.85
    2-ethylhexanol 0.57
    isooctanol 0.88
    dipropyl ether 1.37
    1,2-dichlorobenzene 0.4
    ethyl lactate 2.78
    propylene carbonate 6.26
    n-methylformamide 26.59
    2-pentanol 1.04
    n-pentane 0.13
    1-propoxy-2-propanol 6.51
    1-methoxy-2-propyl acetate 4.48
    2-(2-methoxypropoxy) propanol 4.3
    mesitylene 0.25
    ε-caprolactone 6.93
    p-cymene 0.32
    epichlorohydrin 7.96
    1,1,1-trichloroethane 0.39
    2-aminoethanol 14.99
    morpholine-4-carbaldehyde 48.82
    sulfolane 38.4
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 3.94
    n-hexyl acetate 1.8
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 8.3
    sec-butyl acetate 0.55
    tert-butyl acetate 1.0
    decalin 0.06
    glycerin 33.66
    diglyme 14.81
    acrylic acid 13.67
    isopropyl myristate 0.52
    n-butyric acid 5.9
    acetyl acetate 2.05
    di(2-ethylhexyl) phthalate 0.89
    ethyl propionate 1.14
    nitromethane 23.94
    1,2-diethoxyethane 3.14
    benzonitrile 0.98
    trioctyl phosphate 0.87
    1-bromopropane 0.56
    gamma-valerolactone 28.96
    n-decanol 0.84
    triethyl phosphate 1.03
    4-methyl-2-pentanol 0.38
    propionitrile 1.06
    vinylene carbonate 7.25
    1,1,2-trichlorotrifluoroethane 21.28
    DMS 2.47
    cumene 0.16
    2-octanol 0.9
    2-hexanone 0.86
    octyl acetate 1.08
    limonene 0.49
    1,2-dimethoxyethane 8.11
    ethyl orthosilicate 0.9
    tributyl phosphate 0.73
    diacetone alcohol 3.33
    N,N-dimethylaniline 0.8
    acrylonitrile 2.51
    aniline 2.03
    1,3-propanediol 12.48
    bromobenzene 0.31
    dibromomethane 1.0
    1,1,2,2-tetrachloroethane 1.79
    2-methyl-cyclohexyl acetate 0.81
    tetrabutyl urea 1.44
    diisobutyl methanol 0.31
    2-phenylethanol 1.49
    styrene 0.29
    dioctyl adipate 1.17
    dimethyl sulfate 16.34
    ethyl butyrate 1.22
    methyl lactate 12.43
    butyl lactate 3.8
    diethyl carbonate 0.85
    propanediol butyl ether 9.49
    triethyl orthoformate 1.45
    p-tert-butyltoluene 0.32
    methyl 4-tert-butylbenzoate 2.83
    morpholine 13.19
    tert-butylamine 0.4
    n-dodecanol 0.53
    dimethoxymethane 17.16
    ethylene carbonate 4.57
    cyrene 8.74
    2-ethoxyethyl acetate 4.86
    2-ethylhexyl acetate 0.72
    1,2,4-trichlorobenzene 0.62
    4-methylpyridine 2.87
    dibutyl ether 0.82
    2,6-dimethyl-4-heptanol 0.31
    DEF 7.29
    dimethyl isosorbide 8.41
    tetrachloroethylene 1.85
    eugenol 3.18
    triacetin 3.89
    span 80 5.42
    1,4-butanediol 4.64
    1,1-dichloroethane 0.55
    2-methyl-1-pentanol 0.57
    methyl formate 18.62
    2-methyl-1-butanol 1.11
    n-decane 0.15
    butyronitrile 0.99
    3,7-dimethyl-1-octanol 0.53
    1-chlorooctane 0.38
    1-chlorotetradecane 0.13
    n-nonane 0.14
    undecane 0.1
    tert-butylcyclohexane 0.03
    cyclooctane 0.14
    cyclopentanol 3.53
    tetrahydropyran 3.25
    tert-amyl methyl ether 0.83
    2,5,8-trioxanonane 9.58
    1-hexene 0.2
    2-isopropoxyethanol 4.12
    2,2,2-trifluoroethanol 18.05
    methyl butyrate 1.55

    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