Cicerin

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  • Identifiers

    CAS number
    12751-00-7

    Molecular formula
    C17H14O7

    SMILES
    COC1=CC2=C(C=C1C3COC4=CC(=CC(=C4C3=O)O)O)OCO2

    Safety labels

  • Odor profile

    Fragrance
    Odorless 45.34%
    Phenolic 42.5%
    Spicy 40.33%
    Sweet 30.68%
    Vanilla 30.28%
    Balsamic 25.26%
    Creamy 22.0%
    Woody 20.85%
    Powdery 20.81%
    Smoky 20.71%

     

    Flavor
    Bitter 93.12%
    Bland 25.28%
    Sweet-like 19.85%
    Parsley 19.71%
    Cedarleaf 19.69%
    Lovage 19.17%
    Ripe apricot 18.21%
    Red fruit 17.86%
    Eugenol 17.65%
    Odorless 17.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.55 (weak base)

    Molecular weight
    330.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    877°C

    Flash point

    • 228.35 ˚C est.

  • Synonyms

    • cicerin
    • 5,7-dihydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
    • 5,7-dihydroxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1-benzopyran-4-one
    • RefChem:1081566
    • 12751-00-7
    • CHEMBL1088034
    • CHEBI:174460
    • DTXSID901129133
    • 5,7-Dihydroxy-2'-methoxy-4',5'-methylenedioxyisoflavanone
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-
    • 5,7-Dihydroxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-2,3-dihydro-4H-1-benzopyran-4-one
    • 12751-00-7

  • Applications

    Cicerin (CAS 12751-00-7) is commonly evaluated as an intermediate in organic synthesis and can serve as a solvent or co-solvent in industrial processing. It is also considered as a stabilizer and/or plasticizer for certain polymers, helping to adjust softness and processability. In coatings and inks, Cicerin may act as a processing solvent or additive to improve solubility and handling of materials. Additionally, it can be used in adhesive formulations or cleaning formulations, depending on formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.81
    methanol 4.67
    isopropanol 3.88
    water 0.04
    ethyl acetate 28.53
    n-propanol 2.77
    acetone 90.53
    n-butanol 2.84
    acetonitrile 61.49
    DMF 206.54
    toluene 0.91
    isobutanol 2.6
    1,4-dioxane 64.6
    methyl acetate 44.35
    THF 130.24
    2-butanone 46.26
    n-pentanol 2.27
    sec-butanol 2.8
    n-hexane 0.03
    ethylene glycol 8.7
    NMP 121.86
    cyclohexane 0.11
    DMSO 634.25
    n-butyl acetate 12.1
    n-octanol 3.63
    chloroform 11.05
    n-propyl acetate 17.06
    acetic acid 36.46
    dichloromethane 11.38
    cyclohexanone 55.05
    propylene glycol 6.11
    isopropyl acetate 14.87
    DMAc 246.23
    2-ethoxyethanol 34.2
    isopentanol 3.69
    n-heptane 0.11
    ethyl formate 26.5
    1,2-dichloroethane 13.64
    n-hexanol 1.77
    2-methoxyethanol 71.21
    isobutyl acetate 8.61
    tetrachloromethane 0.96
    n-pentyl acetate 7.26
    transcutol 66.34
    n-heptanol 2.27
    ethylbenzene 0.63
    MIBK 13.1
    2-propoxyethanol 37.79
    tert-butanol 8.69
    MTBE 3.38
    2-butoxyethanol 16.29
    propionic acid 13.8
    o-xylene 1.01
    formic acid 26.51
    diethyl ether 3.91
    m-xylene 0.92
    p-xylene 1.31
    chlorobenzene 2.82
    dimethyl carbonate 41.39
    n-octane 0.08
    formamide 75.16
    cyclopentanone 115.66
    2-pentanone 26.23
    anisole 7.31
    cyclopentyl methyl ether 12.37
    gamma-butyrolactone 135.99
    1-methoxy-2-propanol 42.57
    pyridine 22.84
    3-pentanone 21.23
    furfural 80.45
    n-dodecane 0.17
    diethylene glycol 56.99
    diisopropyl ether 1.21
    tert-amyl alcohol 4.09
    acetylacetone 83.65
    n-hexadecane 0.21
    acetophenone 15.02
    methyl propionate 35.11
    isopentyl acetate 10.88
    trichloroethylene 32.93
    n-nonanol 3.98
    cyclohexanol 4.77
    benzyl alcohol 7.31
    2-ethylhexanol 2.24
    isooctanol 2.42
    dipropyl ether 5.16
    1,2-dichlorobenzene 3.85
    ethyl lactate 17.03
    propylene carbonate 33.24
    n-methylformamide 75.55
    2-pentanol 2.05
    n-pentane 0.03
    1-propoxy-2-propanol 24.23
    1-methoxy-2-propyl acetate 29.51
    2-(2-methoxypropoxy) propanol 28.26
    mesitylene 0.71
    ε-caprolactone 40.71
    p-cymene 1.23
    epichlorohydrin 119.2
    1,1,1-trichloroethane 7.77
    2-aminoethanol 7.38
    morpholine-4-carbaldehyde 125.03
    sulfolane 165.56
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 21.83
    n-hexyl acetate 10.54
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 32.2
    sec-butyl acetate 8.07
    tert-butyl acetate 14.24
    decalin 0.1
    glycerin 28.92
    diglyme 76.14
    acrylic acid 21.5
    isopropyl myristate 5.58
    n-butyric acid 16.02
    acetyl acetate 28.73
    di(2-ethylhexyl) phthalate 6.82
    ethyl propionate 17.43
    nitromethane 340.37
    1,2-diethoxyethane 17.59
    benzonitrile 13.13
    trioctyl phosphate 5.45
    1-bromopropane 1.96
    gamma-valerolactone 168.86
    n-decanol 3.15
    triethyl phosphate 10.2
    4-methyl-2-pentanol 1.99
    propionitrile 25.88
    vinylene carbonate 36.56
    1,1,2-trichlorotrifluoroethane 78.26
    DMS 20.01
    cumene 0.56
    2-octanol 1.82
    2-hexanone 16.85
    octyl acetate 7.29
    limonene 1.64
    1,2-dimethoxyethane 89.5
    ethyl orthosilicate 7.45
    tributyl phosphate 7.37
    diacetone alcohol 29.9
    N,N-dimethylaniline 4.72
    acrylonitrile 56.3
    aniline 4.3
    1,3-propanediol 14.64
    bromobenzene 2.21
    dibromomethane 4.05
    1,1,2,2-tetrachloroethane 23.37
    2-methyl-cyclohexyl acetate 9.97
    tetrabutyl urea 12.84
    diisobutyl methanol 2.25
    2-phenylethanol 7.42
    styrene 0.81
    dioctyl adipate 11.15
    dimethyl sulfate 87.78
    ethyl butyrate 13.69
    methyl lactate 32.88
    butyl lactate 10.18
    diethyl carbonate 11.52
    propanediol butyl ether 14.02
    triethyl orthoformate 11.52
    p-tert-butyltoluene 1.09
    methyl 4-tert-butylbenzoate 13.95
    morpholine 57.06
    tert-butylamine 1.57
    n-dodecanol 2.48
    dimethoxymethane 97.11
    ethylene carbonate 32.5
    cyrene 35.38
    2-ethoxyethyl acetate 17.67
    2-ethylhexyl acetate 7.64
    1,2,4-trichlorobenzene 6.8
    4-methylpyridine 17.4
    dibutyl ether 4.97
    2,6-dimethyl-4-heptanol 2.25
    DEF 40.11
    dimethyl isosorbide 53.21
    tetrachloroethylene 10.14
    eugenol 16.14
    triacetin 22.3
    span 80 14.44
    1,4-butanediol 6.65
    1,1-dichloroethane 7.23
    2-methyl-1-pentanol 2.43
    methyl formate 79.55
    2-methyl-1-butanol 2.66
    n-decane 0.25
    butyronitrile 13.27
    3,7-dimethyl-1-octanol 3.98
    1-chlorooctane 1.42
    1-chlorotetradecane 0.75
    n-nonane 0.18
    undecane 0.21
    tert-butylcyclohexane 0.07
    cyclooctane 0.05
    cyclopentanol 8.79
    tetrahydropyran 15.76
    tert-amyl methyl ether 3.16
    2,5,8-trioxanonane 59.56
    1-hexene 0.16
    2-isopropoxyethanol 18.51
    2,2,2-trifluoroethanol 29.73
    methyl butyrate 24.63

    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