D-Glucoheptono-1,4-lactone

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  • Identifiers

    CAS number
    60046-25-5

    Molecular formula
    C7H12O7

    SMILES
    C([C@H]([C@H]([C@H]1[C@H](C(C(=O)O1)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 76.11%
    Sweet 42.35%
    Caramellic 31.13%
    Clean 17.56%
    Buttery 17.1%
    Burnt 16.23%
    Milky 16.12%
    Savory 15.42%
    Bitter 15.07%
    Sharp 14.81%

     

    Flavor
    Odorless 60.4%
    Sweet 55.15%
    Bitter 42.26%
    Sweet-like 33.11%
    Very mild 29.24%
    Bland 23.62%
    Very slight 21.88%
    Cauliflower 20.66%
    Fenugreek 20.29%
    Yeast 19.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.6

    pKa est.
    3.76 (weak acid)

    Molecular weight
    208.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1354°C

    Flash point

    • 237.39 ˚C est.

  • Synonyms

    • glucoheptonolactone
    • D-Glucoheptono-1,4-lactone
    • 60046-25-5
    • R320ILS1YQ
    • DTXSID301021206
    • RefChem:1082882
    • DTXCID101506260
    • 262-037-0
    • (4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one
    • UNII-R320ILS1YQ
    • D-Glucoheptonic acid-1,4-lactone
    • EINECS 262-037-0
    • (2.xi)-D-Gluco-heptono-gamma-lactone
    • D-gluco-heptono-?-lactone
    • Glucoheptonic acid, ?-lactone
    • D-gluco-Heptonic acid, .gamma.-lactone, (2.xi.)-
    • SCHEMBL1896309
    • VIVCRCODGMFTFY-JPRIQSOUSA-N
    • MG00664
    • GLUCOHEPTONIC ACID, .GAMMA.-LACTONE
    • NS00125986
    • Q27287716
    • 60046-25-5

  • Applications

    D-Glucoheptono-1,4-lactone (CAS 60046-25-5) is used as an acidulant and a slow-releasing source of gluconic acid in aqueous systems, making it suitable for pH control and metal chelation in food processing and beverages; it also serves as an intermediate for synthesizing gluconate derivatives used in pharmaceuticals and cosmetics; in cleaning formulations and personal care products it acts as a chelating/sequestering agent to improve stain removal and formulation stability; in plastics and coatings applications it can function as a processing aid and pH-modulating additive to help manage reactions and metal-catalyzed processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.37
    methanol 86.92
    isopropanol 3.33
    water 1743.68
    ethyl acetate 0.81
    n-propanol 3.07
    acetone 2.59
    n-butanol 2.05
    acetonitrile 1.2
    DMF 275.81
    toluene 0.31
    isobutanol 1.21
    1,4-dioxane 7.3
    methyl acetate 0.69
    THF 4.09
    2-butanone 1.04
    n-pentanol 1.0
    sec-butanol 1.98
    n-hexane 0.1
    ethylene glycol 341.33
    NMP 160.84
    cyclohexane 0.84
    DMSO 1248.74
    n-butyl acetate 0.57
    n-octanol 1.19
    chloroform 0.19
    n-propyl acetate 0.38
    acetic acid 18.96
    dichloromethane 0.45
    cyclohexanone 3.33
    propylene glycol 78.8
    isopropyl acetate 0.66
    DMAc 95.36
    2-ethoxyethanol 24.22
    isopentanol 1.44
    n-heptane 0.6
    ethyl formate 1.37
    1,2-dichloroethane 0.7
    n-hexanol 1.57
    2-methoxyethanol 100.27
    isobutyl acetate 0.14
    tetrachloromethane 0.22
    n-pentyl acetate 0.55
    transcutol 20.61
    n-heptanol 1.64
    ethylbenzene 0.22
    MIBK 0.82
    2-propoxyethanol 12.94
    tert-butanol 3.77
    MTBE 0.71
    2-butoxyethanol 7.18
    propionic acid 4.95
    o-xylene 0.71
    formic acid 642.0
    diethyl ether 0.82
    m-xylene 0.49
    p-xylene 0.24
    chlorobenzene 0.12
    dimethyl carbonate 5.67
    n-octane 0.25
    formamide 480.69
    cyclopentanone 4.09
    2-pentanone 1.17
    anisole 0.64
    cyclopentyl methyl ether 2.32
    gamma-butyrolactone 6.82
    1-methoxy-2-propanol 40.55
    pyridine 1.79
    3-pentanone 1.1
    furfural 11.17
    n-dodecane 0.13
    diethylene glycol 66.58
    diisopropyl ether 0.38
    tert-amyl alcohol 2.87
    acetylacetone 3.36
    n-hexadecane 0.14
    acetophenone 1.2
    methyl propionate 2.42
    isopentyl acetate 0.46
    trichloroethylene 0.67
    n-nonanol 1.12
    cyclohexanol 4.01
    benzyl alcohol 1.89
    2-ethylhexanol 0.92
    isooctanol 1.05
    dipropyl ether 1.23
    1,2-dichlorobenzene 0.23
    ethyl lactate 3.71
    propylene carbonate 2.35
    n-methylformamide 82.6
    2-pentanol 1.35
    n-pentane 0.22
    1-propoxy-2-propanol 7.17
    1-methoxy-2-propyl acetate 2.89
    2-(2-methoxypropoxy) propanol 7.5
    mesitylene 0.54
    ε-caprolactone 3.42
    p-cymene 0.53
    epichlorohydrin 2.93
    1,1,1-trichloroethane 0.14
    2-aminoethanol 124.87
    morpholine-4-carbaldehyde 97.46
    sulfolane 70.21
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 1.75
    n-hexyl acetate 0.67
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 10.19
    sec-butyl acetate 0.24
    tert-butyl acetate 1.02
    decalin 0.17
    glycerin 349.8
    diglyme 18.63
    acrylic acid 12.91
    isopropyl myristate 0.37
    n-butyric acid 2.86
    acetyl acetate 0.9
    di(2-ethylhexyl) phthalate 0.75
    ethyl propionate 0.58
    nitromethane 24.24
    1,2-diethoxyethane 1.42
    benzonitrile 0.53
    trioctyl phosphate 0.8
    1-bromopropane 0.19
    gamma-valerolactone 16.57
    n-decanol 0.88
    triethyl phosphate 1.1
    4-methyl-2-pentanol 0.78
    propionitrile 0.55
    vinylene carbonate 2.45
    1,1,2-trichlorotrifluoroethane 28.15
    DMS 1.26
    cumene 0.22
    2-octanol 0.9
    2-hexanone 0.41
    octyl acetate 0.56
    limonene 0.9
    1,2-dimethoxyethane 10.22
    ethyl orthosilicate 0.94
    tributyl phosphate 0.58
    diacetone alcohol 6.89
    N,N-dimethylaniline 1.46
    acrylonitrile 1.65
    aniline 1.26
    1,3-propanediol 55.94
    bromobenzene 0.09
    dibromomethane 0.25
    1,1,2,2-tetrachloroethane 0.95
    2-methyl-cyclohexyl acetate 0.65
    tetrabutyl urea 1.76
    diisobutyl methanol 0.88
    2-phenylethanol 1.75
    styrene 0.17
    dioctyl adipate 0.71
    dimethyl sulfate 27.9
    ethyl butyrate 0.77
    methyl lactate 22.06
    butyl lactate 2.05
    diethyl carbonate 0.57
    propanediol butyl ether 10.9
    triethyl orthoformate 1.03
    p-tert-butyltoluene 0.58
    methyl 4-tert-butylbenzoate 3.1
    morpholine 12.63
    tert-butylamine 1.33
    n-dodecanol 0.71
    dimethoxymethane 28.02
    ethylene carbonate 1.76
    cyrene 18.96
    2-ethoxyethyl acetate 1.14
    2-ethylhexyl acetate 0.37
    1,2,4-trichlorobenzene 0.34
    4-methylpyridine 1.11
    dibutyl ether 0.52
    2,6-dimethyl-4-heptanol 0.88
    DEF 11.44
    dimethyl isosorbide 10.22
    tetrachloroethylene 1.12
    eugenol 3.92
    triacetin 1.8
    span 80 6.65
    1,4-butanediol 20.13
    1,1-dichloroethane 0.14
    2-methyl-1-pentanol 0.69
    methyl formate 27.42
    2-methyl-1-butanol 1.32
    n-decane 0.22
    butyronitrile 0.43
    3,7-dimethyl-1-octanol 0.81
    1-chlorooctane 0.29
    1-chlorotetradecane 0.16
    n-nonane 0.23
    undecane 0.16
    tert-butylcyclohexane 0.08
    cyclooctane 0.53
    cyclopentanol 4.14
    tetrahydropyran 1.74
    tert-amyl methyl ether 1.11
    2,5,8-trioxanonane 16.77
    1-hexene 0.12
    2-isopropoxyethanol 6.94
    2,2,2-trifluoroethanol 34.68
    methyl butyrate 0.81

    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