6-(2-Carboxy-4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    9005-34-9

    Molecular formula
    C14H22O13

    SMILES
    COC1C(C(C(OC1C(=O)O)OC2C(C(C(OC2C(=O)O)OC)O)O)O)O

  • Odor profile

    Fragrance
    Odorless 81.05%
    Caramellic 22.86%
    Sweet 22.36%
    Savory 21.08%
    Milky 19.54%
    Buttery 16.05%
    Cooling 14.7%
    Burnt 14.69%
    Sharp 14.2%
    Clean 14.15%

     

    Flavor
    Odorless 51.11%
    Bitter 49.51%
    Sweet 38.96%
    Sweet-like 29.79%
    Very mild 26.6%
    Bland 24.84%
    Very slight 21.25%
    Cauliflower 21.13%
    Fatty 20.43%
    Fenugreek 20.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.7

    pKa est.
    1.93 (strong acid)

    Molecular weight
    398.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2097°C

    Flash point

    • 230.95 ˚C est.

  • Synonyms

    • AMMONIUM ALGINATE
    • 9005-34-9
    • 6-(2-carboxy-4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
    • Kaltostat
    • 3-((6-carboxy-3,4-dihydroxy-5-methoxytetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-methoxytetrahydro-2H-pyran-2-carboxylic acid
    • SCHEMBL10118904
    • GKFPPCXIBHQRQT-UHFFFAOYSA-N
    • AKOS015915207

  • Applications

    Chemical name: 6-(2-Carboxy-4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid; CAS number: 9005-34-9. In real-world use, the compound is commonly evaluated as a chiral building block and intermediate for pharmaceutical and agrochemical syntheses, and may function as a polyol component or crosslinking agent in polymer formulations (such as polyesters and polyurethanes). In cosmetics and personal care, its multiple hydroxyl groups enable use as a humectant or texture-modifying ingredient, subject to formulation limits. In coatings and inks, it can serve as a polyol-based binder precursor or rheology modifier, with overall use governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.32
    methanol 4.41
    isopropanol 0.58
    water 95.43
    ethyl acetate 0.35
    n-propanol 0.79
    acetone 0.47
    n-butanol 0.55
    acetonitrile 0.36
    DMF 28.24
    toluene 0.25
    isobutanol 0.33
    1,4-dioxane 1.32
    methyl acetate 0.34
    THF 1.16
    2-butanone 0.37
    n-pentanol 0.29
    sec-butanol 0.45
    n-hexane 0.06
    ethylene glycol 19.51
    NMP 42.13
    cyclohexane 0.24
    DMSO 117.5
    n-butyl acetate 0.19
    n-octanol 0.27
    chloroform 0.15
    n-propyl acetate 0.15
    acetic acid 6.95
    dichloromethane 0.25
    cyclohexanone 1.26
    propylene glycol 7.73
    isopropyl acetate 0.21
    DMAc 24.83
    2-ethoxyethanol 4.4
    isopentanol 0.3
    n-heptane 0.21
    ethyl formate 0.5
    1,2-dichloroethane 0.31
    n-hexanol 0.35
    2-methoxyethanol 13.69
    isobutyl acetate 0.05
    tetrachloromethane 0.09
    n-pentyl acetate 0.17
    transcutol 4.53
    n-heptanol 0.41
    ethylbenzene 0.11
    MIBK 0.22
    2-propoxyethanol 3.06
    tert-butanol 0.49
    MTBE 0.13
    2-butoxyethanol 1.81
    propionic acid 1.6
    o-xylene 0.37
    formic acid 93.67
    diethyl ether 0.31
    m-xylene 0.23
    p-xylene 0.12
    chlorobenzene 0.06
    dimethyl carbonate 1.65
    n-octane 0.1
    formamide 65.52
    cyclopentanone 1.53
    2-pentanone 0.4
    anisole 0.18
    cyclopentyl methyl ether 0.97
    gamma-butyrolactone 2.51
    1-methoxy-2-propanol 6.58
    pyridine 0.96
    3-pentanone 0.52
    furfural 3.75
    n-dodecane 0.04
    diethylene glycol 10.99
    diisopropyl ether 0.12
    tert-amyl alcohol 0.45
    acetylacetone 0.91
    n-hexadecane 0.04
    acetophenone 0.42
    methyl propionate 0.94
    isopentyl acetate 0.12
    trichloroethylene 0.36
    n-nonanol 0.29
    cyclohexanol 1.07
    benzyl alcohol 0.48
    2-ethylhexanol 0.2
    isooctanol 0.23
    dipropyl ether 0.49
    1,2-dichlorobenzene 0.09
    ethyl lactate 0.9
    propylene carbonate 0.86
    n-methylformamide 9.72
    2-pentanol 0.38
    n-pentane 0.1
    1-propoxy-2-propanol 1.69
    1-methoxy-2-propyl acetate 0.8
    2-(2-methoxypropoxy) propanol 1.71
    mesitylene 0.18
    ε-caprolactone 1.32
    p-cymene 0.15
    epichlorohydrin 1.03
    1,1,1-trichloroethane 0.06
    2-aminoethanol 10.28
    morpholine-4-carbaldehyde 20.14
    sulfolane 16.08
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 0.55
    n-hexyl acetate 0.19
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 2.37
    sec-butyl acetate 0.09
    tert-butyl acetate 0.22
    decalin 0.05
    glycerin 41.26
    diglyme 4.32
    acrylic acid 3.62
    isopropyl myristate 0.09
    n-butyric acid 1.0
    acetyl acetate 0.36
    di(2-ethylhexyl) phthalate 0.17
    ethyl propionate 0.26
    nitromethane 6.22
    1,2-diethoxyethane 0.47
    benzonitrile 0.17
    trioctyl phosphate 0.18
    1-bromopropane 0.13
    gamma-valerolactone 5.61
    n-decanol 0.22
    triethyl phosphate 0.36
    4-methyl-2-pentanol 0.17
    propionitrile 0.24
    vinylene carbonate 0.95
    1,1,2-trichlorotrifluoroethane 6.91
    DMS 0.45
    cumene 0.08
    2-octanol 0.21
    2-hexanone 0.15
    octyl acetate 0.14
    limonene 0.25
    1,2-dimethoxyethane 2.31
    ethyl orthosilicate 0.32
    tributyl phosphate 0.14
    diacetone alcohol 1.36
    N,N-dimethylaniline 0.36
    acrylonitrile 0.53
    aniline 0.56
    1,3-propanediol 6.47
    bromobenzene 0.06
    dibromomethane 0.15
    1,1,2,2-tetrachloroethane 0.43
    2-methyl-cyclohexyl acetate 0.21
    tetrabutyl urea 0.45
    diisobutyl methanol 0.16
    2-phenylethanol 0.41
    styrene 0.09
    dioctyl adipate 0.18
    dimethyl sulfate 7.22
    ethyl butyrate 0.27
    methyl lactate 4.85
    butyl lactate 0.51
    diethyl carbonate 0.2
    propanediol butyl ether 2.03
    triethyl orthoformate 0.39
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 0.8
    morpholine 2.63
    tert-butylamine 0.21
    n-dodecanol 0.17
    dimethoxymethane 5.15
    ethylene carbonate 0.69
    cyrene 4.24
    2-ethoxyethyl acetate 0.37
    2-ethylhexyl acetate 0.11
    1,2,4-trichlorobenzene 0.14
    4-methylpyridine 0.52
    dibutyl ether 0.16
    2,6-dimethyl-4-heptanol 0.16
    DEF 2.82
    dimethyl isosorbide 2.51
    tetrachloroethylene 0.48
    eugenol 0.89
    triacetin 0.55
    span 80 1.39
    1,4-butanediol 2.34
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 0.16
    methyl formate 4.4
    2-methyl-1-butanol 0.33
    n-decane 0.08
    butyronitrile 0.18
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.1
    1-chlorotetradecane 0.05
    n-nonane 0.08
    undecane 0.05
    tert-butylcyclohexane 0.02
    cyclooctane 0.17
    cyclopentanol 1.16
    tetrahydropyran 0.64
    tert-amyl methyl ether 0.28
    2,5,8-trioxanonane 3.79
    1-hexene 0.08
    2-isopropoxyethanol 1.38
    2,2,2-trifluoroethanol 8.95
    methyl butyrate 0.32

    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