Ascladiol

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  • Identifiers

    CAS number
    32013-85-7

    Molecular formula
    C7H8O4

    SMILES
    C1=C(/C(=C\CO)/OC1=O)CO

    Safety labels

  • Odor profile

    Fragrance
    Sweet 46.58%
    Caramellic 44.73%
    Odorless 33.76%
    Burnt 31.25%
    Nutty 28.92%
    Roasted 27.84%
    Buttery 26.99%
    Spicy 23.22%
    Creamy 21.3%
    Fruity 21.24%

     

    Flavor
    Odorless 29.29%
    Very mild 27.9%
    Caramel 26.38%
    Cotton candy 21.46%
    Seedy 21.18%
    Extremely sweet 21.13%
    Maple syrup 20.42%
    Fenugreek 20.14%
    Bitter 19.92%
    Maple 19.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.5

    pKa est.
    7.51 (neutral)

    Molecular weight
    156.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    432°C

    Flash point

    • 178.63 ˚C est.

  • Synonyms

    • Ascladiol
    • (5E)-5-(2-hydroxyethylidene)-4-(hydroxymethyl)furan-2-one
    • RefChem:114452
    • (E)-ascladiol
    • Ascladiol, (E)-
    • 32013-85-7
    • 2R4H5L9HF9
    • UNII-2R4H5L9HF9
    • 81183-44-0
    • 2(5H)-Furanone, 5-(2-hydroxyethylidene)-4-(hydroxymethyl)-
    • SCHEMBL31304098
    • CHEBI:145112
    • Q27891367
    • (5E)-5-(2-hydroxyethylidene)-4-(hydroxymethyl)furan-2(5H)-one
    • 32013-85-7

  • Applications

    Ascladiol (CAS number: 32013-85-7) is a diol that can function as an intermediate or processing aid in polymer synthesis, used as a monomer or chain extender for polyesters and polyurethanes. In coatings and inks, it may serve as a resin component or a solvent and viscosity modifier to optimize formulation performance. It can act as a plasticizer to impart flexibility to polymers and coatings. In cosmetics and personal care, Ascladiol may be used as a solvent or humectant. In cleaning and household products, it may function as a solvent or processing aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.36
    methanol 98.78
    isopropanol 22.95
    water 20.78
    ethyl acetate 17.63
    n-propanol 23.78
    acetone 42.48
    n-butanol 17.72
    acetonitrile 32.29
    DMF 351.75
    toluene 3.72
    isobutanol 14.63
    1,4-dioxane 43.07
    methyl acetate 24.75
    THF 60.57
    2-butanone 22.83
    n-pentanol 16.45
    sec-butanol 14.41
    n-hexane 0.48
    ethylene glycol 116.25
    NMP 249.07
    cyclohexane 0.58
    DMSO 503.16
    n-butyl acetate 10.94
    n-octanol 13.98
    chloroform 12.73
    n-propyl acetate 12.11
    acetic acid 47.79
    dichloromethane 28.75
    cyclohexanone 32.89
    propylene glycol 49.23
    isopropyl acetate 12.2
    DMAc 233.9
    2-ethoxyethanol 62.81
    isopentanol 14.6
    n-heptane 1.16
    ethyl formate 27.04
    1,2-dichloroethane 22.98
    n-hexanol 16.14
    2-methoxyethanol 118.65
    isobutyl acetate 7.5
    tetrachloromethane 2.47
    n-pentyl acetate 10.41
    transcutol 48.39
    n-heptanol 13.19
    ethylbenzene 4.1
    MIBK 16.26
    2-propoxyethanol 56.31
    tert-butanol 27.47
    MTBE 9.64
    2-butoxyethanol 31.28
    propionic acid 30.87
    o-xylene 6.46
    formic acid 93.75
    diethyl ether 8.85
    m-xylene 6.93
    p-xylene 5.02
    chlorobenzene 8.41
    dimethyl carbonate 36.21
    n-octane 0.67
    formamide 123.53
    cyclopentanone 59.13
    2-pentanone 19.32
    anisole 17.98
    cyclopentyl methyl ether 17.31
    gamma-butyrolactone 97.53
    1-methoxy-2-propanol 67.96
    pyridine 23.12
    3-pentanone 15.41
    furfural 91.34
    n-dodecane 0.95
    diethylene glycol 100.45
    diisopropyl ether 3.51
    tert-amyl alcohol 17.09
    acetylacetone 37.61
    n-hexadecane 1.05
    acetophenone 24.49
    methyl propionate 30.01
    isopentyl acetate 10.9
    trichloroethylene 31.86
    n-nonanol 13.35
    cyclohexanol 13.51
    benzyl alcohol 25.62
    2-ethylhexanol 10.51
    isooctanol 11.11
    dipropyl ether 8.81
    1,2-dichlorobenzene 12.58
    ethyl lactate 25.01
    propylene carbonate 44.38
    n-methylformamide 128.1
    2-pentanol 10.06
    n-pentane 0.58
    1-propoxy-2-propanol 32.27
    1-methoxy-2-propyl acetate 26.73
    2-(2-methoxypropoxy) propanol 36.47
    mesitylene 5.58
    ε-caprolactone 33.91
    p-cymene 5.76
    epichlorohydrin 72.45
    1,1,1-trichloroethane 9.35
    2-aminoethanol 75.74
    morpholine-4-carbaldehyde 151.08
    sulfolane 190.46
    2,2,4-trimethylpentane 0.63
    2-methyltetrahydrofuran 23.32
    n-hexyl acetate 15.93
    isooctane 0.59
    2-(2-butoxyethoxy)ethanol 37.58
    sec-butyl acetate 7.78
    tert-butyl acetate 15.46
    decalin 0.99
    glycerin 114.95
    diglyme 63.75
    acrylic acid 45.62
    isopropyl myristate 9.21
    n-butyric acid 25.52
    acetyl acetate 17.53
    di(2-ethylhexyl) phthalate 15.54
    ethyl propionate 14.06
    nitromethane 111.14
    1,2-diethoxyethane 13.05
    benzonitrile 22.43
    trioctyl phosphate 12.73
    1-bromopropane 6.43
    gamma-valerolactone 93.32
    n-decanol 10.83
    triethyl phosphate 12.75
    4-methyl-2-pentanol 8.25
    propionitrile 22.63
    vinylene carbonate 42.23
    1,1,2-trichlorotrifluoroethane 82.29
    DMS 19.41
    cumene 4.55
    2-octanol 8.09
    2-hexanone 13.38
    octyl acetate 12.83
    limonene 7.05
    1,2-dimethoxyethane 66.49
    ethyl orthosilicate 10.67
    tributyl phosphate 11.07
    diacetone alcohol 34.3
    N,N-dimethylaniline 19.62
    acrylonitrile 45.85
    aniline 13.92
    1,3-propanediol 53.42
    bromobenzene 6.3
    dibromomethane 12.11
    1,1,2,2-tetrachloroethane 24.94
    2-methyl-cyclohexyl acetate 14.49
    tetrabutyl urea 20.16
    diisobutyl methanol 7.65
    2-phenylethanol 22.3
    styrene 4.51
    dioctyl adipate 16.96
    dimethyl sulfate 90.17
    ethyl butyrate 13.06
    methyl lactate 53.5
    butyl lactate 16.06
    diethyl carbonate 11.75
    propanediol butyl ether 30.04
    triethyl orthoformate 11.68
    p-tert-butyltoluene 5.53
    methyl 4-tert-butylbenzoate 32.6
    morpholine 46.27
    tert-butylamine 10.76
    n-dodecanol 8.83
    dimethoxymethane 96.29
    ethylene carbonate 30.84
    cyrene 60.0
    2-ethoxyethyl acetate 15.35
    2-ethylhexyl acetate 8.08
    1,2,4-trichlorobenzene 15.87
    4-methylpyridine 24.24
    dibutyl ether 6.25
    2,6-dimethyl-4-heptanol 7.65
    DEF 49.95
    dimethyl isosorbide 56.13
    tetrachloroethylene 14.99
    eugenol 37.6
    triacetin 22.82
    span 80 28.0
    1,4-butanediol 37.94
    1,1-dichloroethane 10.64
    2-methyl-1-pentanol 13.17
    methyl formate 99.75
    2-methyl-1-butanol 13.06
    n-decane 1.23
    butyronitrile 18.1
    3,7-dimethyl-1-octanol 12.07
    1-chlorooctane 5.47
    1-chlorotetradecane 3.06
    n-nonane 1.03
    undecane 1.06
    tert-butylcyclohexane 0.92
    cyclooctane 0.5
    cyclopentanol 21.08
    tetrahydropyran 13.21
    tert-amyl methyl ether 10.03
    2,5,8-trioxanonane 58.37
    1-hexene 2.01
    2-isopropoxyethanol 34.84
    2,2,2-trifluoroethanol 39.79
    methyl butyrate 19.19

    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