Sedoheptulosan

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  • Identifiers

    CAS number
    469-90-9

    Molecular formula
    C7H12O6

    SMILES
    C1[C@@H]2[C@H]([C@H]([C@@H]([C@](O1)(O2)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 69.56%
    Sweet 48.67%
    Caramellic 25.42%
    Woody 23.06%
    Alcoholic 18.57%
    Clean 17.74%
    Vanilla 15.19%
    Burnt 15.08%
    Cooling 14.59%
    Milky 14.42%

     

    Flavor
    Sweet 81.95%
    Bitter 50.62%
    Odorless 48.0%
    Sweet-like 30.88%
    Fatty 24.19%
    Cauliflower 22.68%
    Very slight 21.51%
    Alkaline 20.71%
    Soup 20.53%
    Naphthalic 20.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.5

    pKa est.
    6.24 (neutral)

    Molecular weight
    192.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    767°C

    Flash point

    • 203.47 ˚C est.

  • Synonyms

    • Sedoheptulose anhydride
    • Sedoheptulosan
    • 469-90-9
    • 2,7-anhydro-beta-D-altro-hept-2-ulopyranose
    • CHEBI:32488
    • RefChem:182228
    • GKUQBELMWYQKKJ-BNWJMWRWSA-N
    • GKUQBELMWYQKKJ-UHFFFAOYSA-N
    • (1R,2S,3R,4S,5R)-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
    • Sedoheptulose anhydride monohydrate
    • 2,7-Anhydro-beta-D-altro-heptulopyranose
    • .beta.-D-altro-2-Heptulopyranose, 2,7-anhydro-
    • 2,7-Anhydro-b-D-altro-heptulopyranose
    • 2,7-anhydro-D-sedoheptulose
    • SCHEMBL489160
    • DTXSID601317385
    • EX-A8167
    • MFCD00150523
    • AKOS040763771
    • HY-W145500
    • MS08092
    • DB-226882
    • CS-0214434
    • H36378
    • Q27114957
    • 469-90-9

  • Applications

    Sedoheptulosan (CAS 469-90-9) is a seven-carbon sugar that is primarily used as a biochemical building block and substrate in carbohydrate synthesis and enzymatic studies. In pharmaceutical and biotech contexts, it is commonly evaluated as an intermediate for the preparation of nucleotide-sugar derivatives and related compounds. In cosmetics and personal care, it may be evaluated for use as a humectant or skin-conditioning additive due to its polyhydroxyl structure. In industrial manufacturing, it serves as a sugar feedstock or starting material for bioconversion to higher-value sugars and intermediates. It also functions as a reference standard in carbohydrate analysis and method development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.79
    methanol 60.0
    isopropanol 4.07
    water 504.17
    ethyl acetate 2.72
    n-propanol 3.84
    acetone 4.16
    n-butanol 3.76
    acetonitrile 2.5
    DMF 157.43
    toluene 0.52
    isobutanol 2.17
    1,4-dioxane 14.07
    methyl acetate 1.57
    THF 10.32
    2-butanone 2.3
    n-pentanol 2.48
    sec-butanol 2.81
    n-hexane 0.14
    ethylene glycol 98.12
    NMP 111.79
    cyclohexane 0.6
    DMSO 527.8
    n-butyl acetate 1.55
    n-octanol 3.11
    chloroform 1.23
    n-propyl acetate 1.12
    acetic acid 15.17
    dichloromethane 2.72
    cyclohexanone 7.79
    propylene glycol 25.89
    isopropyl acetate 2.05
    DMAc 70.98
    2-ethoxyethanol 30.28
    isopentanol 2.72
    n-heptane 0.72
    ethyl formate 2.94
    1,2-dichloroethane 2.41
    n-hexanol 2.77
    2-methoxyethanol 78.82
    isobutyl acetate 0.6
    tetrachloromethane 0.63
    n-pentyl acetate 2.0
    transcutol 30.98
    n-heptanol 3.52
    ethylbenzene 0.43
    MIBK 2.41
    2-propoxyethanol 19.17
    tert-butanol 3.66
    MTBE 1.13
    2-butoxyethanol 14.23
    propionic acid 5.17
    o-xylene 1.06
    formic acid 218.58
    diethyl ether 2.02
    m-xylene 0.94
    p-xylene 0.54
    chlorobenzene 0.57
    dimethyl carbonate 6.48
    n-octane 0.41
    formamide 173.25
    cyclopentanone 9.62
    2-pentanone 3.08
    anisole 1.5
    cyclopentyl methyl ether 4.77
    gamma-butyrolactone 16.0
    1-methoxy-2-propanol 39.72
    pyridine 3.69
    3-pentanone 2.55
    furfural 23.81
    n-dodecane 0.3
    diethylene glycol 56.65
    diisopropyl ether 0.87
    tert-amyl alcohol 2.8
    acetylacetone 7.84
    n-hexadecane 0.33
    acetophenone 2.76
    methyl propionate 4.76
    isopentyl acetate 1.25
    trichloroethylene 2.86
    n-nonanol 2.99
    cyclohexanol 4.94
    benzyl alcohol 3.75
    2-ethylhexanol 1.88
    isooctanol 2.64
    dipropyl ether 2.45
    1,2-dichlorobenzene 1.01
    ethyl lactate 5.45
    propylene carbonate 5.59
    n-methylformamide 51.39
    2-pentanol 2.41
    n-pentane 0.27
    1-propoxy-2-propanol 11.09
    1-methoxy-2-propyl acetate 6.02
    2-(2-methoxypropoxy) propanol 12.14
    mesitylene 1.03
    ε-caprolactone 8.06
    p-cymene 1.06
    epichlorohydrin 9.8
    1,1,1-trichloroethane 0.61
    2-aminoethanol 43.54
    morpholine-4-carbaldehyde 98.47
    sulfolane 75.74
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 3.95
    n-hexyl acetate 2.39
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 17.66
    sec-butyl acetate 0.8
    tert-butyl acetate 2.38
    decalin 0.23
    glycerin 118.13
    diglyme 33.96
    acrylic acid 9.73
    isopropyl myristate 1.22
    n-butyric acid 5.59
    acetyl acetate 2.39
    di(2-ethylhexyl) phthalate 2.42
    ethyl propionate 1.61
    nitromethane 27.62
    1,2-diethoxyethane 3.98
    benzonitrile 1.98
    trioctyl phosphate 2.31
    1-bromopropane 0.64
    gamma-valerolactone 35.41
    n-decanol 2.23
    triethyl phosphate 2.37
    4-methyl-2-pentanol 1.63
    propionitrile 1.38
    vinylene carbonate 6.04
    1,1,2-trichlorotrifluoroethane 34.14
    DMS 3.09
    cumene 0.48
    2-octanol 2.14
    2-hexanone 1.23
    octyl acetate 1.74
    limonene 1.61
    1,2-dimethoxyethane 18.49
    ethyl orthosilicate 2.04
    tributyl phosphate 1.75
    diacetone alcohol 9.12
    N,N-dimethylaniline 2.46
    acrylonitrile 3.13
    aniline 2.0
    1,3-propanediol 33.9
    bromobenzene 0.45
    dibromomethane 1.19
    1,1,2,2-tetrachloroethane 3.36
    2-methyl-cyclohexyl acetate 1.71
    tetrabutyl urea 3.91
    diisobutyl methanol 1.86
    2-phenylethanol 3.26
    styrene 0.38
    dioctyl adipate 2.32
    dimethyl sulfate 26.49
    ethyl butyrate 1.98
    methyl lactate 19.72
    butyl lactate 4.4
    diethyl carbonate 1.37
    propanediol butyl ether 16.1
    triethyl orthoformate 2.36
    p-tert-butyltoluene 1.05
    methyl 4-tert-butylbenzoate 7.14
    morpholine 18.89
    tert-butylamine 1.51
    n-dodecanol 1.69
    dimethoxymethane 33.37
    ethylene carbonate 4.54
    cyrene 23.53
    2-ethoxyethyl acetate 3.81
    2-ethylhexyl acetate 1.07
    1,2,4-trichlorobenzene 1.3
    4-methylpyridine 2.69
    dibutyl ether 1.55
    2,6-dimethyl-4-heptanol 1.86
    DEF 16.11
    dimethyl isosorbide 19.54
    tetrachloroethylene 3.4
    eugenol 9.07
    triacetin 5.04
    span 80 10.39
    1,4-butanediol 17.12
    1,1-dichloroethane 0.68
    2-methyl-1-pentanol 1.72
    methyl formate 23.92
    2-methyl-1-butanol 2.47
    n-decane 0.48
    butyronitrile 1.59
    3,7-dimethyl-1-octanol 2.16
    1-chlorooctane 1.01
    1-chlorotetradecane 0.5
    n-nonane 0.47
    undecane 0.37
    tert-butylcyclohexane 0.15
    cyclooctane 0.46
    cyclopentanol 5.38
    tetrahydropyran 3.53
    tert-amyl methyl ether 1.73
    2,5,8-trioxanonane 28.03
    1-hexene 0.27
    2-isopropoxyethanol 11.21
    2,2,2-trifluoroethanol 25.55
    methyl butyrate 2.11

    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