L-(-)-Sorbose

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  • Identifiers

    CAS number
    87-79-6

    Molecular formula
    C6H12O6

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 68.13%
    Odorless 51.43%
    Caramellic 37.26%
    Buttery 32.28%
    Milky 21.13%
    Creamy 20.14%
    Fruity 19.9%
    Bitter 19.39%
    Alcoholic 19.04%
    Sharp 17.86%

     

    Flavor
    Odorless 69.54%
    Sweet 42.95%
    Sweet-like 31.6%
    Very mild 31.13%
    Bland 22.24%
    Very slight 21.14%
    Caramellic 20.62%
    Yeast 19.83%
    Mild 19.02%
    Acetoin 18.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.2

    pKa est.
    4.23 (weak acid)

    Molecular weight
    180.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    784°C

    Flash point

    • 225.92 ˚C est.

  • Synonyms

    • 87-79-6
    • L-(-)-Sorbose
    • (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
    • DTXSID1048704
    • DTXCID8028630
    • GlyTouCan:G96062UJ
    • RefChem:1048327
    • G96062UJ
    • L(-)-Sorbose
    • Sorbinose
    • Esorben
    • Sorbin
    • keto-L-sorbose
    • MFCD00151097
    • L-Sorbinose
    • L-xylo-2-Hexulose
    • L-1,3,4,5,6-Pentahydroxyhexan-2-one
    • NV2001607Y
    • NSC 97195
    • CAS-87-79-6
    • HSDB 780
    • Sorbose, L- (VAN)
    • EINECS 201-771-8
    • AI3-19425
    • L-1,2,3,4,5,6-Pentahydroxyhexan-2-one
    • NSC-97195
    • UNII-NV2001607Y
    • NCGC00166302-01
    • Sol
    • L(-)Sorbose
    • L-xylo-hex-2-ulose
    • SORBOSE [HSDB]
    • SORBOSE [MI]
    • SCHEMBL32845
    • orb1304781
    • orb3026130
    • CHEMBL1615232
    • CHEBI:13172
    • MSK3211
    • Tox21_113100
    • s5338
    • AKOS016843833
    • Tox21_113100_1
    • CCG-266425
    • CS-W020980
    • EBC-152237
    • HY-W040240
    • MS05200
    • NCGC00344523-01
    • AS-35336
    • NS00078823
    • EN300-658719
    • F240990
    • Q378611
    • Z1255399223
    • L-(-)-Sorbose, for biotechnological purposes, >=98.0% (sum of enantiomers, HPLC)
    • 7270-77-1
    • 87-79-6

  • Applications

    L-(-)-Sorbose (87-79-6) is principally used as an industrial intermediate in the production of L-ascorbic acid (vitamin C) via the Reichstein process, where it acts as an intermediate leading to 2-keto-L-gulonic acid and subsequently to vitamin C. It also serves as a chiral building block for pharmaceutical and fine-chemical synthesis, enabling routes to asymmetric derivatives. In research and development, it is employed as a substrate in carbohydrate studies and enzyme assays to probe sugar metabolism and related redox steps. In specialty chemical contexts, it may be derivatized to access rare-sugar derivatives for niche synthesis applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.73
    methanol 86.72
    isopropanol 4.83
    water 2343.25
    ethyl acetate 1.07
    n-propanol 5.63
    acetone 2.81
    n-butanol 3.14
    acetonitrile 1.84
    DMF 348.43
    toluene 0.23
    isobutanol 2.38
    1,4-dioxane 9.14
    methyl acetate 1.16
    THF 4.35
    2-butanone 1.68
    n-pentanol 1.28
    sec-butanol 3.85
    n-hexane 0.1
    ethylene glycol 426.99
    NMP 199.35
    cyclohexane 0.93
    DMSO 1106.32
    n-butyl acetate 0.57
    n-octanol 1.01
    chloroform 0.26
    n-propyl acetate 0.45
    acetic acid 21.23
    dichloromethane 0.56
    cyclohexanone 4.16
    propylene glycol 111.48
    isopropyl acetate 0.73
    DMAc 133.66
    2-ethoxyethanol 23.59
    isopentanol 1.83
    n-heptane 0.65
    ethyl formate 1.59
    1,2-dichloroethane 0.96
    n-hexanol 1.73
    2-methoxyethanol 104.14
    isobutyl acetate 0.18
    tetrachloromethane 0.29
    n-pentyl acetate 0.46
    transcutol 16.63
    n-heptanol 1.45
    ethylbenzene 0.21
    MIBK 0.89
    2-propoxyethanol 11.4
    tert-butanol 4.92
    MTBE 1.0
    2-butoxyethanol 5.81
    propionic acid 9.36
    o-xylene 0.66
    formic acid 619.65
    diethyl ether 0.93
    m-xylene 0.42
    p-xylene 0.24
    chlorobenzene 0.12
    dimethyl carbonate 5.57
    n-octane 0.23
    formamide 413.22
    cyclopentanone 5.1
    2-pentanone 1.48
    anisole 0.65
    cyclopentyl methyl ether 2.74
    gamma-butyrolactone 7.86
    1-methoxy-2-propanol 41.16
    pyridine 1.8
    3-pentanone 1.72
    furfural 11.49
    n-dodecane 0.12
    diethylene glycol 59.27
    diisopropyl ether 0.42
    tert-amyl alcohol 4.49
    acetylacetone 3.19
    n-hexadecane 0.13
    acetophenone 1.3
    methyl propionate 3.36
    isopentyl acetate 0.44
    trichloroethylene 0.84
    n-nonanol 0.91
    cyclohexanol 5.29
    benzyl alcohol 2.06
    2-ethylhexanol 0.99
    isooctanol 1.03
    dipropyl ether 1.24
    1,2-dichlorobenzene 0.25
    ethyl lactate 3.96
    propylene carbonate 2.56
    n-methylformamide 99.33
    2-pentanol 1.88
    n-pentane 0.23
    1-propoxy-2-propanol 6.59
    1-methoxy-2-propyl acetate 2.67
    2-(2-methoxypropoxy) propanol 6.37
    mesitylene 0.52
    ε-caprolactone 4.31
    p-cymene 0.54
    epichlorohydrin 3.39
    1,1,1-trichloroethane 0.19
    2-aminoethanol 163.64
    morpholine-4-carbaldehyde 113.66
    sulfolane 83.99
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 2.24
    n-hexyl acetate 0.6
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 7.93
    sec-butyl acetate 0.3
    tert-butyl acetate 1.03
    decalin 0.2
    glycerin 427.06
    diglyme 15.61
    acrylic acid 20.69
    isopropyl myristate 0.3
    n-butyric acid 4.07
    acetyl acetate 0.94
    di(2-ethylhexyl) phthalate 0.71
    ethyl propionate 0.71
    nitromethane 25.79
    1,2-diethoxyethane 1.25
    benzonitrile 0.53
    trioctyl phosphate 0.71
    1-bromopropane 0.25
    gamma-valerolactone 17.87
    n-decanol 0.72
    triethyl phosphate 1.16
    4-methyl-2-pentanol 0.96
    propionitrile 0.92
    vinylene carbonate 2.56
    1,1,2-trichlorotrifluoroethane 33.31
    DMS 1.29
    cumene 0.23
    2-octanol 0.79
    2-hexanone 0.51
    octyl acetate 0.46
    limonene 0.97
    1,2-dimethoxyethane 10.89
    ethyl orthosilicate 1.03
    tributyl phosphate 0.56
    diacetone alcohol 6.98
    N,N-dimethylaniline 1.65
    acrylonitrile 2.35
    aniline 1.2
    1,3-propanediol 70.74
    bromobenzene 0.1
    dibromomethane 0.32
    1,1,2,2-tetrachloroethane 1.37
    2-methyl-cyclohexyl acetate 0.7
    tetrabutyl urea 1.6
    diisobutyl methanol 0.97
    2-phenylethanol 1.61
    styrene 0.17
    dioctyl adipate 0.67
    dimethyl sulfate 27.38
    ethyl butyrate 0.79
    methyl lactate 24.42
    butyl lactate 1.8
    diethyl carbonate 0.53
    propanediol butyl ether 9.23
    triethyl orthoformate 1.04
    p-tert-butyltoluene 0.61
    methyl 4-tert-butylbenzoate 2.79
    morpholine 16.34
    tert-butylamine 1.67
    n-dodecanol 0.61
    dimethoxymethane 26.46
    ethylene carbonate 1.98
    cyrene 21.02
    2-ethoxyethyl acetate 0.93
    2-ethylhexyl acetate 0.37
    1,2,4-trichlorobenzene 0.38
    4-methylpyridine 1.09
    dibutyl ether 0.45
    2,6-dimethyl-4-heptanol 0.97
    DEF 15.15
    dimethyl isosorbide 9.06
    tetrachloroethylene 1.55
    eugenol 3.64
    triacetin 1.68
    span 80 6.07
    1,4-butanediol 24.22
    1,1-dichloroethane 0.21
    2-methyl-1-pentanol 0.91
    methyl formate 29.37
    2-methyl-1-butanol 2.14
    n-decane 0.19
    butyronitrile 0.63
    3,7-dimethyl-1-octanol 0.72
    1-chlorooctane 0.29
    1-chlorotetradecane 0.16
    n-nonane 0.21
    undecane 0.15
    tert-butylcyclohexane 0.11
    cyclooctane 0.56
    cyclopentanol 6.18
    tetrahydropyran 2.18
    tert-amyl methyl ether 1.53
    2,5,8-trioxanonane 14.47
    1-hexene 0.13
    2-isopropoxyethanol 7.14
    2,2,2-trifluoroethanol 41.0
    methyl butyrate 1.02

    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