CID 187147

Overview IFRA Request a quote

  • Identifiers

    CAS number
    78873-52-6

    Molecular formula
    C20H18O6

    SMILES
    CC(C)(C1=CC2=CC3=C(C=C2O1)OC[C@@]4([C@H]3OC5=C4C=CC(=C5)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 51.88%
    Vanilla 39.59%
    Phenolic 35.13%
    Powdery 32.8%
    Odorless 32.56%
    Creamy 30.48%
    Floral 26.69%
    Fruity 25.1%
    Balsamic 25.06%
    Animal 23.89%

     

    Flavor
    Bitter 93.35%
    Bland 24.49%
    Sweet-like 21.22%
    Cedarleaf 20.06%
    Parsley 19.7%
    Eugenol 18.72%
    Lovage 18.65%
    Ripe apricot 18.65%
    Red fruit 18.49%
    Indole 18.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.46 (weak base)

    Molecular weight
    354.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    929°C

    Flash point

    • 280.46 ˚C est.

  • Synonyms

    • Glyceofuran
    • 78873-52-6
    • CHEMBL5277239
    • SCHEMBL29886196
    • DTXSID20229357
    • CHEBI:175543
    • (1S,13S)-6-(2-hydroxypropan-2-yl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaene-13,17-diol
    • (6aS,11aS)-2-(2-Hydroxypropan-2-yl)-6H-[1]benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6a,9(11aH)-diol
    • 78873-52-6

  • Applications

    CID 187147 (CAS 78873-52-6) is typically used as an intermediate in organic synthesis and can function as a solvent or diluent in industrial formulations. It may serve as a stabilizer or processing additive for polymers and plastics, and as a chelating agent in complex formulations. It is also used as a processing aid in coatings and inks, and may appear in cleaning formulations as a solvent or co-solvent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.42
    methanol 13.39
    isopropanol 6.57
    water 0.1
    ethyl acetate 8.27
    n-propanol 7.21
    acetone 32.61
    n-butanol 6.91
    acetonitrile 12.23
    DMF 111.72
    toluene 0.96
    isobutanol 4.58
    1,4-dioxane 27.15
    methyl acetate 11.33
    THF 94.24
    2-butanone 20.24
    n-pentanol 5.19
    sec-butanol 4.08
    n-hexane 0.04
    ethylene glycol 11.76
    NMP 34.79
    cyclohexane 0.07
    DMSO 207.97
    n-butyl acetate 7.24
    n-octanol 6.24
    chloroform 9.0
    n-propyl acetate 9.16
    acetic acid 38.85
    dichloromethane 6.92
    cyclohexanone 26.71
    propylene glycol 8.66
    isopropyl acetate 8.38
    DMAc 113.31
    2-ethoxyethanol 43.34
    isopentanol 6.67
    n-heptane 0.1
    ethyl formate 12.39
    1,2-dichloroethane 4.72
    n-hexanol 4.2
    2-methoxyethanol 86.65
    isobutyl acetate 6.83
    tetrachloromethane 0.55
    n-pentyl acetate 10.38
    transcutol 78.16
    n-heptanol 6.23
    ethylbenzene 0.63
    MIBK 10.58
    2-propoxyethanol 46.85
    tert-butanol 6.87
    MTBE 3.49
    2-butoxyethanol 28.54
    propionic acid 11.18
    o-xylene 0.76
    formic acid 30.3
    diethyl ether 3.36
    m-xylene 0.76
    p-xylene 1.05
    chlorobenzene 1.63
    dimethyl carbonate 14.6
    n-octane 0.1
    formamide 47.04
    cyclopentanone 41.63
    2-pentanone 14.53
    anisole 5.62
    cyclopentyl methyl ether 7.92
    gamma-butyrolactone 40.97
    1-methoxy-2-propanol 54.48
    pyridine 14.04
    3-pentanone 8.05
    furfural 36.68
    n-dodecane 0.19
    diethylene glycol 53.01
    diisopropyl ether 0.99
    tert-amyl alcohol 4.94
    acetylacetone 27.54
    n-hexadecane 0.23
    acetophenone 9.57
    methyl propionate 11.51
    isopentyl acetate 8.75
    trichloroethylene 15.26
    n-nonanol 7.17
    cyclohexanol 4.72
    benzyl alcohol 9.18
    2-ethylhexanol 3.09
    isooctanol 5.45
    dipropyl ether 4.19
    1,2-dichlorobenzene 2.03
    ethyl lactate 14.06
    propylene carbonate 15.89
    n-methylformamide 42.09
    2-pentanol 3.01
    n-pentane 0.03
    1-propoxy-2-propanol 27.47
    1-methoxy-2-propyl acetate 21.78
    2-(2-methoxypropoxy) propanol 31.21
    mesitylene 0.51
    ε-caprolactone 20.18
    p-cymene 1.08
    epichlorohydrin 45.59
    1,1,1-trichloroethane 2.75
    2-aminoethanol 14.21
    morpholine-4-carbaldehyde 71.75
    sulfolane 58.6
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 12.79
    n-hexyl acetate 12.42
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 40.23
    sec-butyl acetate 5.59
    tert-butyl acetate 9.77
    decalin 0.1
    glycerin 34.79
    diglyme 69.43
    acrylic acid 15.87
    isopropyl myristate 6.19
    n-butyric acid 16.05
    acetyl acetate 8.42
    di(2-ethylhexyl) phthalate 8.28
    ethyl propionate 7.43
    nitromethane 81.15
    1,2-diethoxyethane 16.7
    benzonitrile 8.15
    trioctyl phosphate 6.57
    1-bromopropane 1.3
    gamma-valerolactone 95.56
    n-decanol 5.11
    triethyl phosphate 6.24
    4-methyl-2-pentanol 3.0
    propionitrile 9.25
    vinylene carbonate 17.26
    1,1,2-trichlorotrifluoroethane 47.07
    DMS 12.23
    cumene 0.57
    2-octanol 3.9
    2-hexanone 11.45
    octyl acetate 8.44
    limonene 1.33
    1,2-dimethoxyethane 68.96
    ethyl orthosilicate 5.68
    tributyl phosphate 7.21
    diacetone alcohol 23.92
    N,N-dimethylaniline 4.21
    acrylonitrile 18.63
    aniline 3.93
    1,3-propanediol 29.95
    bromobenzene 1.21
    dibromomethane 2.55
    1,1,2,2-tetrachloroethane 11.65
    2-methyl-cyclohexyl acetate 8.59
    tetrabutyl urea 12.0
    diisobutyl methanol 2.59
    2-phenylethanol 9.29
    styrene 0.76
    dioctyl adipate 11.1
    dimethyl sulfate 27.7
    ethyl butyrate 6.75
    methyl lactate 23.18
    butyl lactate 14.49
    diethyl carbonate 5.81
    propanediol butyl ether 24.52
    triethyl orthoformate 8.28
    p-tert-butyltoluene 1.05
    methyl 4-tert-butylbenzoate 15.1
    morpholine 36.98
    tert-butylamine 1.7
    n-dodecanol 3.66
    dimethoxymethane 61.24
    ethylene carbonate 15.05
    cyrene 29.86
    2-ethoxyethyl acetate 19.49
    2-ethylhexyl acetate 5.82
    1,2,4-trichlorobenzene 3.52
    4-methylpyridine 9.42
    dibutyl ether 5.46
    2,6-dimethyl-4-heptanol 2.59
    DEF 20.18
    dimethyl isosorbide 38.43
    tetrachloroethylene 5.95
    eugenol 19.52
    triacetin 20.51
    span 80 18.87
    1,4-butanediol 10.38
    1,1-dichloroethane 2.71
    2-methyl-1-pentanol 4.67
    methyl formate 34.0
    2-methyl-1-butanol 4.91
    n-decane 0.32
    butyronitrile 8.52
    3,7-dimethyl-1-octanol 5.41
    1-chlorooctane 1.75
    1-chlorotetradecane 0.82
    n-nonane 0.22
    undecane 0.24
    tert-butylcyclohexane 0.08
    cyclooctane 0.04
    cyclopentanol 5.91
    tetrahydropyran 10.81
    tert-amyl methyl ether 3.15
    2,5,8-trioxanonane 52.57
    1-hexene 0.27
    2-isopropoxyethanol 23.48
    2,2,2-trifluoroethanol 15.04
    methyl butyrate 11.66

    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