L-threo-2-Pentulose

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  • Identifiers

    CAS number
    527-50-4

    Molecular formula
    C5H10O5

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 68.12%
    Odorless 45.13%
    Caramellic 43.0%
    Buttery 36.71%
    Fruity 25.95%
    Milky 22.64%
    Creamy 22.08%
    Sharp 20.23%
    Alcoholic 20.13%
    Bitter 19.98%

     

    Flavor
    Odorless 68.79%
    Sweet 42.77%
    Very mild 31.94%
    Sweet-like 30.36%
    Caramellic 22.26%
    Very slight 21.32%
    Bland 21.07%
    Yeast 19.91%
    Acetoin 19.32%
    Cardboard 18.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.6

    pKa est.
    4.82 (weak acid)

    Molecular weight
    150.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    515°C

    Flash point

    • 200.55 ˚C est.

  • Synonyms

    • L-xylulose
    • L-threo-Pentulose
    • 527-50-4
    • L-threo-2-Pentulose
    • (3R,4S)-1,3,4,5-tetrahydroxypentan-2-one
    • L-threo-pent-2-ulose
    • DL1M07LQ7A
    • CHEBI:17399
    • DTXSID201315618
    • RefChem:151986
    • GlyTouCan:G69371PB
    • DTXCID401745518
    • G69371PB
    • L-Xylulose (1.0 M in water)
    • Xylulose, L-
    • UNII-DL1M07LQ7A
    • L-threo-2-Pentulose; L-threo-Pentulose (7CI,8CI); L-Xylulose
    • L-Xul
    • SCHEMBL37388
    • orb1737685
    • XYLULOSE L-ISOMER [MI]
    • L-Xylulose, 1.0 M aqueous solution
    • MX07932
    • HY-113317
    • CS-0059582
    • G77004
    • Q423204
    • 527-50-4

  • Applications

    L-threo-2-Pentulose (CAS 527-50-4) is primarily used as an intermediate and chiral building block in carbohydrate chemistry and pharmaceutical development. In practice, it serves as a precursor for the synthesis of rare sugar derivatives via chemical or enzymatic transformations, enabling access to stereochemically defined frameworks for drug discovery. It can also function as a substrate or reference material in analytical methods and enzymatic assays involving pentulose sugars. In research and development settings, it is evaluated for use in polymer and materials science as a starting point for functionalized sugar monomers or cross-linkers, and may be considered for specialty cosmetic or fragrance formulations where sugar backbones are of interest. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.06
    methanol 116.72
    isopropanol 6.74
    water 1865.44
    ethyl acetate 1.7
    n-propanol 7.52
    acetone 2.99
    n-butanol 4.35
    acetonitrile 2.75
    DMF 445.59
    toluene 0.29
    isobutanol 3.53
    1,4-dioxane 14.42
    methyl acetate 1.83
    THF 6.26
    2-butanone 2.3
    n-pentanol 2.51
    sec-butanol 5.37
    n-hexane 0.18
    ethylene glycol 384.22
    NMP 225.83
    cyclohexane 1.07
    DMSO 1127.77
    n-butyl acetate 1.06
    n-octanol 2.16
    chloroform 0.92
    n-propyl acetate 0.87
    acetic acid 21.09
    dichloromethane 2.07
    cyclohexanone 5.98
    propylene glycol 104.21
    isopropyl acetate 1.19
    DMAc 182.55
    2-ethoxyethanol 38.76
    isopentanol 2.78
    n-heptane 1.02
    ethyl formate 2.69
    1,2-dichloroethane 2.62
    n-hexanol 2.77
    2-methoxyethanol 122.72
    isobutyl acetate 0.44
    tetrachloromethane 0.57
    n-pentyl acetate 1.0
    transcutol 28.21
    n-heptanol 2.85
    ethylbenzene 0.34
    MIBK 1.4
    2-propoxyethanol 18.34
    tert-butanol 6.47
    MTBE 1.81
    2-butoxyethanol 11.8
    propionic acid 11.43
    o-xylene 0.96
    formic acid 468.78
    diethyl ether 1.48
    m-xylene 0.6
    p-xylene 0.44
    chlorobenzene 0.3
    dimethyl carbonate 7.2
    n-octane 0.38
    formamide 345.27
    cyclopentanone 6.39
    2-pentanone 1.85
    anisole 1.39
    cyclopentyl methyl ether 3.35
    gamma-butyrolactone 11.99
    1-methoxy-2-propanol 50.83
    pyridine 2.72
    3-pentanone 2.32
    furfural 20.05
    n-dodecane 0.24
    diethylene glycol 73.28
    diisopropyl ether 0.73
    tert-amyl alcohol 6.32
    acetylacetone 4.21
    n-hexadecane 0.26
    acetophenone 2.56
    methyl propionate 4.62
    isopentyl acetate 0.85
    trichloroethylene 2.3
    n-nonanol 1.98
    cyclohexanol 6.35
    benzyl alcohol 3.98
    2-ethylhexanol 1.86
    isooctanol 2.12
    dipropyl ether 2.12
    1,2-dichlorobenzene 0.69
    ethyl lactate 6.84
    propylene carbonate 4.37
    n-methylformamide 117.28
    2-pentanol 2.58
    n-pentane 0.34
    1-propoxy-2-propanol 10.58
    1-methoxy-2-propyl acetate 4.26
    2-(2-methoxypropoxy) propanol 12.54
    mesitylene 0.82
    ε-caprolactone 6.66
    p-cymene 0.95
    epichlorohydrin 7.02
    1,1,1-trichloroethane 0.48
    2-aminoethanol 166.96
    morpholine-4-carbaldehyde 148.88
    sulfolane 96.03
    2,2,4-trimethylpentane 0.3
    2-methyltetrahydrofuran 3.03
    n-hexyl acetate 1.29
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 16.52
    sec-butyl acetate 0.61
    tert-butyl acetate 1.62
    decalin 0.35
    glycerin 340.85
    diglyme 29.63
    acrylic acid 23.43
    isopropyl myristate 0.71
    n-butyric acid 5.54
    acetyl acetate 1.47
    di(2-ethylhexyl) phthalate 1.84
    ethyl propionate 1.31
    nitromethane 29.36
    1,2-diethoxyethane 2.47
    benzonitrile 1.29
    trioctyl phosphate 1.67
    1-bromopropane 0.64
    gamma-valerolactone 27.58
    n-decanol 1.56
    triethyl phosphate 2.15
    4-methyl-2-pentanol 1.57
    propionitrile 1.72
    vinylene carbonate 4.93
    1,1,2-trichlorotrifluoroethane 46.88
    DMS 2.34
    cumene 0.47
    2-octanol 1.54
    2-hexanone 0.98
    octyl acetate 1.08
    limonene 1.66
    1,2-dimethoxyethane 19.72
    ethyl orthosilicate 1.95
    tributyl phosphate 1.29
    diacetone alcohol 8.81
    N,N-dimethylaniline 3.16
    acrylonitrile 4.11
    aniline 1.66
    1,3-propanediol 78.08
    bromobenzene 0.22
    dibromomethane 0.99
    1,1,2,2-tetrachloroethane 3.6
    2-methyl-cyclohexyl acetate 1.42
    tetrabutyl urea 3.58
    diisobutyl methanol 1.77
    2-phenylethanol 3.0
    styrene 0.31
    dioctyl adipate 1.67
    dimethyl sulfate 33.39
    ethyl butyrate 1.46
    methyl lactate 29.07
    butyl lactate 3.35
    diethyl carbonate 1.03
    propanediol butyl ether 15.76
    triethyl orthoformate 1.91
    p-tert-butyltoluene 1.04
    methyl 4-tert-butylbenzoate 6.08
    morpholine 24.2
    tert-butylamine 2.61
    n-dodecanol 1.33
    dimethoxymethane 33.82
    ethylene carbonate 3.64
    cyrene 32.75
    2-ethoxyethyl acetate 1.93
    2-ethylhexyl acetate 0.73
    1,2,4-trichlorobenzene 0.98
    4-methylpyridine 1.75
    dibutyl ether 0.94
    2,6-dimethyl-4-heptanol 1.77
    DEF 20.97
    dimethyl isosorbide 16.65
    tetrachloroethylene 3.24
    eugenol 8.39
    triacetin 3.42
    span 80 11.2
    1,4-butanediol 36.1
    1,1-dichloroethane 0.62
    2-methyl-1-pentanol 1.91
    methyl formate 36.18
    2-methyl-1-butanol 3.25
    n-decane 0.35
    butyronitrile 1.29
    3,7-dimethyl-1-octanol 1.6
    1-chlorooctane 0.64
    1-chlorotetradecane 0.38
    n-nonane 0.37
    undecane 0.28
    tert-butylcyclohexane 0.22
    cyclooctane 0.7
    cyclopentanol 7.19
    tetrahydropyran 3.08
    tert-amyl methyl ether 2.47
    2,5,8-trioxanonane 27.11
    1-hexene 0.25
    2-isopropoxyethanol 13.49
    2,2,2-trifluoroethanol 40.9
    methyl butyrate 1.84

    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