Glucoheptanoic acid

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  • Identifiers

    CAS number
    23351-51-1

    Molecular formula
    C7H14O8

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.73%
    Sweet 43.86%
    Caramellic 27.36%
    Buttery 21.75%
    Savory 18.26%
    Milky 17.94%
    Clean 17.83%
    Alcoholic 16.19%
    Bitter 16.04%
    Sharp 15.8%

     

    Flavor
    Odorless 72.7%
    Sweet 38.07%
    Sweet-like 31.3%
    Very mild 30.16%
    Bland 24.13%
    Mild 21.68%
    Very slight 20.51%
    Yeast 20.01%
    Caramellic 18.94%
    Acetoin 18.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -4.0

    pKa est.
    2.73 (strong acid)

    Molecular weight
    226.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1115°C

    Flash point

    • 275.42 ˚C est.

  • Synonyms

    • 23351-51-1
    • Glucoheptanoic acid
    • DTXSID10891901
    • RefChem:663102
    • GlyTouCan:G96898GY
    • DTXCID40227092
    • G96898GY
    • (2xi)-D-gluco-heptonic acid
    • (3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid
    • (2xi)-D-glycero-D-ido-heptonic acid
    • (2xi)-D-glycero-D-gulo-heptonic acid
    • (2.xi.)-D-Gluco-heptonic acid
    • D-gluco-Heptonic acid, (2xi)-
    • EINECS 245-601-0
    • SCHEMBL2727482
    • CHEBI:59201
    • DTXSID60275676
    • KWMLJOLKUYYJFJ-GASJEMHNSA-N
    • Q27126530
    • (3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoicacid
    • rel-(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid
    • 23351-51-1

  • Applications

    Glucoheptanoic acid (CAS 23351-51-1) is a sugar-derived aliphatic carboxylic acid that functions as an intermediate and building block in chemical synthesis. In industrial manufacturing, it is used to prepare specialty esters and derivatives for polymers, coatings and inks. It also serves as a precursor for pharmaceutical and agrochemical intermediates. In cosmetics and personal care, it can act as a processing aid or formulation component, and in cleaning products it may serve as a chelating or buffering agent to improve formulation stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.62
    methanol 3.63
    isopropanol 0.33
    water 564.98
    ethyl acetate 0.24
    n-propanol 0.4
    acetone 0.47
    n-butanol 0.25
    acetonitrile 0.19
    DMF 44.14
    toluene 0.14
    isobutanol 0.22
    1,4-dioxane 1.18
    methyl acetate 0.19
    THF 0.75
    2-butanone 0.28
    n-pentanol 0.14
    sec-butanol 0.37
    n-hexane 0.04
    ethylene glycol 54.08
    NMP 56.25
    cyclohexane 0.31
    DMSO 149.75
    n-butyl acetate 0.16
    n-octanol 0.24
    chloroform 0.02
    n-propyl acetate 0.09
    acetic acid 3.48
    dichloromethane 0.04
    cyclohexanone 0.85
    propylene glycol 13.98
    isopropyl acetate 0.19
    DMAc 29.81
    2-ethoxyethanol 3.76
    isopentanol 0.22
    n-heptane 0.31
    ethyl formate 0.2
    1,2-dichloroethane 0.09
    n-hexanol 0.43
    2-methoxyethanol 13.52
    isobutyl acetate 0.03
    tetrachloromethane 0.05
    n-pentyl acetate 0.13
    transcutol 3.76
    n-heptanol 0.43
    ethylbenzene 0.09
    MIBK 0.25
    2-propoxyethanol 3.58
    tert-butanol 0.76
    MTBE 0.18
    2-butoxyethanol 1.56
    propionic acid 1.37
    o-xylene 0.38
    formic acid 101.93
    diethyl ether 0.18
    m-xylene 0.23
    p-xylene 0.08
    chlorobenzene 0.02
    dimethyl carbonate 1.61
    n-octane 0.09
    formamide 61.71
    cyclopentanone 1.14
    2-pentanone 0.34
    anisole 0.16
    cyclopentyl methyl ether 0.93
    gamma-butyrolactone 1.7
    1-methoxy-2-propanol 7.85
    pyridine 0.4
    3-pentanone 0.47
    furfural 2.14
    n-dodecane 0.04
    diethylene glycol 17.81
    diisopropyl ether 0.14
    tert-amyl alcohol 0.8
    acetylacetone 1.04
    n-hexadecane 0.05
    acetophenone 0.32
    methyl propionate 0.88
    isopentyl acetate 0.11
    trichloroethylene 0.09
    n-nonanol 0.24
    cyclohexanol 1.01
    benzyl alcohol 0.38
    2-ethylhexanol 0.29
    isooctanol 0.27
    dipropyl ether 0.47
    1,2-dichlorobenzene 0.04
    ethyl lactate 0.93
    propylene carbonate 0.5
    n-methylformamide 10.58
    2-pentanol 0.31
    n-pentane 0.07
    1-propoxy-2-propanol 2.29
    1-methoxy-2-propyl acetate 1.0
    2-(2-methoxypropoxy) propanol 1.61
    mesitylene 0.26
    ε-caprolactone 0.91
    p-cymene 0.21
    epichlorohydrin 0.42
    1,1,1-trichloroethane 0.03
    2-aminoethanol 16.36
    morpholine-4-carbaldehyde 25.42
    sulfolane 19.29
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 0.44
    n-hexyl acetate 0.15
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 2.08
    sec-butyl acetate 0.07
    tert-butyl acetate 0.35
    decalin 0.07
    glycerin 102.8
    diglyme 4.05
    acrylic acid 3.33
    isopropyl myristate 0.08
    n-butyric acid 0.65
    acetyl acetate 0.24
    di(2-ethylhexyl) phthalate 0.14
    ethyl propionate 0.19
    nitromethane 4.03
    1,2-diethoxyethane 0.29
    benzonitrile 0.08
    trioctyl phosphate 0.17
    1-bromopropane 0.03
    gamma-valerolactone 3.73
    n-decanol 0.2
    triethyl phosphate 0.33
    4-methyl-2-pentanol 0.21
    propionitrile 0.11
    vinylene carbonate 0.43
    1,1,2-trichlorotrifluoroethane 5.86
    DMS 0.36
    cumene 0.08
    2-octanol 0.23
    2-hexanone 0.1
    octyl acetate 0.12
    limonene 0.38
    1,2-dimethoxyethane 1.61
    ethyl orthosilicate 0.31
    tributyl phosphate 0.12
    diacetone alcohol 2.55
    N,N-dimethylaniline 0.45
    acrylonitrile 0.29
    aniline 0.39
    1,3-propanediol 6.9
    bromobenzene 0.02
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.16
    2-methyl-cyclohexyl acetate 0.18
    tetrabutyl urea 0.4
    diisobutyl methanol 0.29
    2-phenylethanol 0.44
    styrene 0.06
    dioctyl adipate 0.13
    dimethyl sulfate 8.43
    ethyl butyrate 0.22
    methyl lactate 6.55
    butyl lactate 0.47
    diethyl carbonate 0.13
    propanediol butyl ether 2.05
    triethyl orthoformate 0.33
    p-tert-butyltoluene 0.26
    methyl 4-tert-butylbenzoate 0.87
    morpholine 2.0
    tert-butylamine 0.31
    n-dodecanol 0.16
    dimethoxymethane 5.02
    ethylene carbonate 0.33
    cyrene 5.07
    2-ethoxyethyl acetate 0.25
    2-ethylhexyl acetate 0.1
    1,2,4-trichlorobenzene 0.07
    4-methylpyridine 0.26
    dibutyl ether 0.11
    2,6-dimethyl-4-heptanol 0.29
    DEF 3.3
    dimethyl isosorbide 2.76
    tetrachloroethylene 0.23
    eugenol 0.94
    triacetin 0.43
    span 80 1.59
    1,4-butanediol 2.38
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.12
    methyl formate 3.64
    2-methyl-1-butanol 0.27
    n-decane 0.07
    butyronitrile 0.07
    3,7-dimethyl-1-octanol 0.15
    1-chlorooctane 0.07
    1-chlorotetradecane 0.04
    n-nonane 0.08
    undecane 0.05
    tert-butylcyclohexane 0.04
    cyclooctane 0.28
    cyclopentanol 0.97
    tetrahydropyran 0.34
    tert-amyl methyl ether 0.41
    2,5,8-trioxanonane 3.79
    1-hexene 0.04
    2-isopropoxyethanol 1.29
    2,2,2-trifluoroethanol 7.38
    methyl butyrate 0.22

    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