2,6-Anhydro-5-deoxy-D-arabino-hept-5-enaric acid

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  • Identifiers

    CAS number
    34098-52-7

    Molecular formula
    C7H8O7

    SMILES
    C1=C(O[C@@H]([C@@H]([C@@H]1O)O)C(=O)O)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.36%
    Caramellic 33.58%
    Burnt 25.36%
    Sour 23.51%
    Savory 21.45%
    Sharp 20.06%
    Roasted 19.56%
    Buttery 19.04%
    Clean 17.89%
    Cooked 17.02%

     

    Flavor
    Odorless 56.3%
    Very mild 37.95%
    Sour 26.69%
    Caramellic 22.11%
    Bland 21.42%
    Sweet-like 21.31%
    Yeast 21.22%
    Mild 21.08%
    Extremely sweet 19.92%
    Urine 19.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.0

    pKa est.
    3.7 (weak acid)

    Molecular weight
    204.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    510°C

    Flash point

    • 228.83 ˚C est.

  • Synonyms

    • (-)-Daucic acid
    • 2,6-Anhydro-3-deoxy-D-lyxo-hept-2-enaric acid
    • 34098-52-7
    • Daucic acid, (-)-
    • 4Q78JV26SN
    • 2,6-Anhydro-5-deoxy-D-arabino-hept-5-enaric acid
    • RefChem:1060207
    • (2S,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
    • SCHEMBL7151188
    • D-arabino-Hept-5-enaric acid, 2,6-anhydro-5-deoxy-
    • 34098-52-7

  • Applications

    2,6-Anhydro-5-deoxy-D-arabino-hept-5-enaric acid, CAS 34098-52-7, is predominantly regarded as a carbohydrate-derived synthetic building block, commonly used as an intermediate in the preparation of fine chemicals and pharmaceutical-related compounds; it may serve as a precursor for polymers and specialty plastics, as well as for functionalized derivatives in polymer chemistry; it may be explored as a fragrance ingredient or flavor precursor in perfumery and flavor applications; and it can be used as a reference reagent in carbohydrate chemistry R&D.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.99
    methanol 17.71
    isopropanol 2.3
    water 34.04
    ethyl acetate 0.56
    n-propanol 2.3
    acetone 1.58
    n-butanol 1.63
    acetonitrile 0.91
    DMF 69.47
    toluene 0.99
    isobutanol 0.96
    1,4-dioxane 4.53
    methyl acetate 0.54
    THF 2.97
    2-butanone 0.95
    n-pentanol 1.16
    sec-butanol 1.32
    n-hexane 0.26
    ethylene glycol 38.91
    NMP 67.56
    cyclohexane 0.69
    DMSO 224.23
    n-butyl acetate 0.52
    n-octanol 1.24
    chloroform 0.13
    n-propyl acetate 0.31
    acetic acid 1.75
    dichloromethane 0.44
    cyclohexanone 2.03
    propylene glycol 13.85
    isopropyl acetate 0.37
    DMAc 49.15
    2-ethoxyethanol 10.91
    isopentanol 0.95
    n-heptane 1.19
    ethyl formate 0.72
    1,2-dichloroethane 0.84
    n-hexanol 1.49
    2-methoxyethanol 28.95
    isobutyl acetate 0.1
    tetrachloromethane 0.09
    n-pentyl acetate 0.5
    transcutol 10.15
    n-heptanol 1.75
    ethylbenzene 0.53
    MIBK 0.49
    2-propoxyethanol 8.02
    tert-butanol 1.75
    MTBE 0.54
    2-butoxyethanol 5.77
    propionic acid 1.28
    o-xylene 1.67
    formic acid 30.64
    diethyl ether 1.25
    m-xylene 1.07
    p-xylene 0.47
    chlorobenzene 0.19
    dimethyl carbonate 2.32
    n-octane 0.44
    formamide 36.52
    cyclopentanone 2.22
    2-pentanone 0.9
    anisole 0.8
    cyclopentyl methyl ether 2.0
    gamma-butyrolactone 2.86
    1-methoxy-2-propanol 13.3
    pyridine 2.62
    3-pentanone 1.13
    furfural 5.17
    n-dodecane 0.23
    diethylene glycol 21.16
    diisopropyl ether 0.4
    tert-amyl alcohol 1.16
    acetylacetone 1.26
    n-hexadecane 0.25
    acetophenone 1.16
    methyl propionate 1.61
    isopentyl acetate 0.31
    trichloroethylene 0.48
    n-nonanol 1.25
    cyclohexanol 1.97
    benzyl alcohol 1.7
    2-ethylhexanol 0.8
    isooctanol 0.99
    dipropyl ether 2.04
    1,2-dichlorobenzene 0.25
    ethyl lactate 1.44
    propylene carbonate 0.75
    n-methylformamide 17.25
    2-pentanol 1.0
    n-pentane 0.42
    1-propoxy-2-propanol 4.51
    1-methoxy-2-propyl acetate 1.57
    2-(2-methoxypropoxy) propanol 5.05
    mesitylene 0.85
    ε-caprolactone 1.76
    p-cymene 0.78
    epichlorohydrin 2.18
    1,1,1-trichloroethane 0.08
    2-aminoethanol 22.84
    morpholine-4-carbaldehyde 34.31
    sulfolane 18.69
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 1.36
    n-hexyl acetate 0.55
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 7.2
    sec-butyl acetate 0.16
    tert-butyl acetate 0.42
    decalin 0.22
    glycerin 44.2
    diglyme 10.23
    acrylic acid 2.61
    isopropyl myristate 0.35
    n-butyric acid 0.83
    acetyl acetate 0.31
    di(2-ethylhexyl) phthalate 0.61
    ethyl propionate 0.5
    nitromethane 3.7
    1,2-diethoxyethane 1.43
    benzonitrile 0.6
    trioctyl phosphate 0.63
    1-bromopropane 0.41
    gamma-valerolactone 7.31
    n-decanol 1.02
    triethyl phosphate 0.63
    4-methyl-2-pentanol 0.47
    propionitrile 0.67
    vinylene carbonate 0.95
    1,1,2-trichlorotrifluoroethane 5.96
    DMS 0.77
    cumene 0.4
    2-octanol 0.89
    2-hexanone 0.44
    octyl acetate 0.53
    limonene 1.08
    1,2-dimethoxyethane 6.49
    ethyl orthosilicate 0.63
    tributyl phosphate 0.39
    diacetone alcohol 1.95
    N,N-dimethylaniline 1.8
    acrylonitrile 1.47
    aniline 1.69
    1,3-propanediol 11.07
    bromobenzene 0.16
    dibromomethane 0.3
    1,1,2,2-tetrachloroethane 0.71
    2-methyl-cyclohexyl acetate 0.43
    tetrabutyl urea 1.53
    diisobutyl methanol 0.64
    2-phenylethanol 1.43
    styrene 0.42
    dioctyl adipate 0.62
    dimethyl sulfate 8.31
    ethyl butyrate 0.6
    methyl lactate 6.11
    butyl lactate 1.2
    diethyl carbonate 0.35
    propanediol butyl ether 5.35
    triethyl orthoformate 0.82
    p-tert-butyltoluene 0.7
    methyl 4-tert-butylbenzoate 2.4
    morpholine 7.48
    tert-butylamine 0.91
    n-dodecanol 0.81
    dimethoxymethane 14.58
    ethylene carbonate 0.72
    cyrene 8.32
    2-ethoxyethyl acetate 0.92
    2-ethylhexyl acetate 0.3
    1,2,4-trichlorobenzene 0.34
    4-methylpyridine 1.79
    dibutyl ether 0.66
    2,6-dimethyl-4-heptanol 0.64
    DEF 6.47
    dimethyl isosorbide 5.99
    tetrachloroethylene 0.74
    eugenol 3.32
    triacetin 1.02
    span 80 3.94
    1,4-butanediol 6.2
    1,1-dichloroethane 0.16
    2-methyl-1-pentanol 0.62
    methyl formate 5.98
    2-methyl-1-butanol 0.96
    n-decane 0.39
    butyronitrile 0.56
    3,7-dimethyl-1-octanol 0.59
    1-chlorooctane 0.44
    1-chlorotetradecane 0.25
    n-nonane 0.4
    undecane 0.29
    tert-butylcyclohexane 0.1
    cyclooctane 0.58
    cyclopentanol 1.83
    tetrahydropyran 1.56
    tert-amyl methyl ether 0.85
    2,5,8-trioxanonane 10.54
    1-hexene 0.37
    2-isopropoxyethanol 3.66
    2,2,2-trifluoroethanol 2.35
    methyl butyrate 0.56

    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