Cyclointegrin

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  • Identifiers

    CAS number
    60791-48-2

    Molecular formula
    C21H20O6

    SMILES
    CC1(CCC2=C(C3=C(O1)C=C(C=C3)O)OC4=CC(=CC(=C4C2=O)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 57.72%
    Sweet 39.33%
    Spicy 33.19%
    Woody 30.46%
    Medicinal 28.23%
    Odorless 27.98%
    Smoky 27.1%
    Animal 26.83%
    Vanilla 26.32%
    Powdery 25.75%

     

    Flavor
    Bitter 91.59%
    Parsley 20.9%
    Cedarleaf 20.75%
    Lovage 19.96%
    Ripe apricot 19.9%
    Eugenol 19.61%
    Red fruit 19.6%
    Indole 19.2%
    Very strong 19.14%
    Bland 19.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.74 (weak base)

    Molecular weight
    368.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    861°C

    Melting point expt.

    • 260 °C

    Flash point

    • 243.24 ˚C est.

  • Synonyms

    • Cyclointegrin
    • 60791-48-2
    • 7,8-Dihydro-3,10-dihydroxy-12-methoxy-6,6-dimethyl-6H,9H-[1]benzopyrano[3,2-e][1]benzoxocin-9-one
    • 6H,9H-[1]Benzopyrano[3,2-e][1]benzoxocin-9-one, 7,8-dihydro-3,10-dihydroxy-12-methoxy-6,6-dimethyl-
    • AA6BFB4FAK
    • CHEBI:175721
    • DTXSID701114629
    • LMPK12111541
    • 17-methoxy-9,9-dimethyl-5,15-bis(oxidanyl)-8,20-dioxatetracyclo(10.8.0.02,7.014,19)icosa-1(12),2,4,6,14,16,18-heptaen-13-one
    • 3,10-Dihydroxy-12-methoxy-6,6-dimethyl-7,8-dihydro-6H,9H-[1]benzopyrano[3,2-e][1]benzoxocin-9-one
    • 5,15-dihydroxy-17-methoxy-9,9-dimethyl-8,20-dioxatetracyclo[10.8.0.02,7.014,19]icosa-1(12),2(7),3,5,14,16,18-heptaen-13-one
    • 60791-48-2

  • Applications

    Cyclointegrin (CAS 60791-48-2) is an organic compound used primarily as an intermediate in chemical synthesis, with potential applications as a solvent or co-solvent in industrial formulations. In polymers and coatings, it can act as a reactive diluent or processing aid to adjust properties and processing performance. In adhesives and inks, it may function as a plasticizer or specialty additive to modify material performance. In perfumery or cosmetics, it could serve as a fragrance intermediate or odorant component, while in cleaning formulations it may be evaluated as a solvent or formulation aid. Its exact use is subject to formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.59
    methanol 9.27
    isopropanol 4.07
    water 0.09
    ethyl acetate 9.92
    n-propanol 5.94
    acetone 27.66
    n-butanol 4.56
    acetonitrile 15.6
    DMF 163.81
    toluene 1.24
    isobutanol 5.02
    1,4-dioxane 29.96
    methyl acetate 19.47
    THF 77.1
    2-butanone 18.75
    n-pentanol 5.13
    sec-butanol 3.21
    n-hexane 0.04
    ethylene glycol 25.03
    NMP 149.71
    cyclohexane 0.08
    DMSO 346.88
    n-butyl acetate 12.14
    n-octanol 4.53
    chloroform 16.67
    n-propyl acetate 14.6
    acetic acid 60.27
    dichloromethane 17.92
    cyclohexanone 35.02
    propylene glycol 25.78
    isopropyl acetate 8.34
    DMAc 168.48
    2-ethoxyethanol 39.13
    isopentanol 5.04
    n-heptane 0.07
    ethyl formate 15.06
    1,2-dichloroethane 12.41
    n-hexanol 2.89
    2-methoxyethanol 87.13
    isobutyl acetate 12.23
    tetrachloromethane 0.99
    n-pentyl acetate 11.95
    transcutol 168.14
    n-heptanol 4.45
    ethylbenzene 0.99
    MIBK 9.54
    2-propoxyethanol 49.04
    tert-butanol 5.73
    MTBE 2.21
    2-butoxyethanol 27.48
    propionic acid 25.18
    o-xylene 1.15
    formic acid 42.69
    diethyl ether 1.64
    m-xylene 1.31
    p-xylene 1.94
    chlorobenzene 4.23
    dimethyl carbonate 31.24
    n-octane 0.05
    formamide 59.45
    cyclopentanone 77.49
    2-pentanone 11.55
    anisole 7.3
    cyclopentyl methyl ether 10.05
    gamma-butyrolactone 121.26
    1-methoxy-2-propanol 59.4
    pyridine 18.95
    3-pentanone 8.07
    furfural 83.16
    n-dodecane 0.14
    diethylene glycol 80.97
    diisopropyl ether 0.72
    tert-amyl alcohol 4.01
    acetylacetone 34.1
    n-hexadecane 0.16
    acetophenone 17.89
    methyl propionate 20.31
    isopentyl acetate 12.91
    trichloroethylene 38.74
    n-nonanol 5.06
    cyclohexanol 5.23
    benzyl alcohol 14.5
    2-ethylhexanol 2.91
    isooctanol 4.48
    dipropyl ether 2.98
    1,2-dichlorobenzene 5.71
    ethyl lactate 25.81
    propylene carbonate 47.74
    n-methylformamide 63.13
    2-pentanol 2.12
    n-pentane 0.03
    1-propoxy-2-propanol 32.39
    1-methoxy-2-propyl acetate 33.33
    2-(2-methoxypropoxy) propanol 39.53
    mesitylene 0.86
    ε-caprolactone 37.81
    p-cymene 1.58
    epichlorohydrin 95.67
    1,1,1-trichloroethane 7.07
    2-aminoethanol 21.55
    morpholine-4-carbaldehyde 142.6
    sulfolane 185.84
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 16.31
    n-hexyl acetate 13.12
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 51.14
    sec-butyl acetate 8.3
    tert-butyl acetate 10.36
    decalin 0.13
    glycerin 87.19
    diglyme 84.22
    acrylic acid 41.25
    isopropyl myristate 5.77
    n-butyric acid 21.46
    acetyl acetate 13.73
    di(2-ethylhexyl) phthalate 12.13
    ethyl propionate 12.09
    nitromethane 134.73
    1,2-diethoxyethane 17.9
    benzonitrile 15.79
    trioctyl phosphate 8.15
    1-bromopropane 2.12
    gamma-valerolactone 144.83
    n-decanol 3.86
    triethyl phosphate 11.02
    4-methyl-2-pentanol 2.37
    propionitrile 10.31
    vinylene carbonate 46.25
    1,1,2-trichlorotrifluoroethane 111.49
    DMS 28.82
    cumene 1.04
    2-octanol 2.77
    2-hexanone 13.06
    octyl acetate 8.49
    limonene 1.74
    1,2-dimethoxyethane 53.21
    ethyl orthosilicate 8.29
    tributyl phosphate 10.1
    diacetone alcohol 28.99
    N,N-dimethylaniline 6.53
    acrylonitrile 25.27
    aniline 6.42
    1,3-propanediol 26.32
    bromobenzene 3.36
    dibromomethane 6.26
    1,1,2,2-tetrachloroethane 29.68
    2-methyl-cyclohexyl acetate 13.25
    tetrabutyl urea 15.17
    diisobutyl methanol 2.49
    2-phenylethanol 12.39
    styrene 1.31
    dioctyl adipate 14.22
    dimethyl sulfate 75.83
    ethyl butyrate 10.77
    methyl lactate 52.34
    butyl lactate 22.35
    diethyl carbonate 10.61
    propanediol butyl ether 37.56
    triethyl orthoformate 10.97
    p-tert-butyltoluene 1.47
    methyl 4-tert-butylbenzoate 22.53
    morpholine 42.48
    tert-butylamine 1.41
    n-dodecanol 2.87
    dimethoxymethane 60.63
    ethylene carbonate 35.07
    cyrene 57.27
    2-ethoxyethyl acetate 28.21
    2-ethylhexyl acetate 9.54
    1,2,4-trichlorobenzene 11.08
    4-methylpyridine 15.91
    dibutyl ether 3.61
    2,6-dimethyl-4-heptanol 2.49
    DEF 24.36
    dimethyl isosorbide 70.94
    tetrachloroethylene 11.7
    eugenol 28.2
    triacetin 34.81
    span 80 28.08
    1,4-butanediol 14.46
    1,1-dichloroethane 6.71
    2-methyl-1-pentanol 5.05
    methyl formate 59.53
    2-methyl-1-butanol 4.46
    n-decane 0.18
    butyronitrile 7.2
    3,7-dimethyl-1-octanol 4.71
    1-chlorooctane 1.3
    1-chlorotetradecane 0.75
    n-nonane 0.12
    undecane 0.15
    tert-butylcyclohexane 0.12
    cyclooctane 0.04
    cyclopentanol 11.09
    tetrahydropyran 7.75
    tert-amyl methyl ether 2.21
    2,5,8-trioxanonane 64.69
    1-hexene 0.32
    2-isopropoxyethanol 25.73
    2,2,2-trifluoroethanol 31.34
    methyl butyrate 18.22

    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