Celereoin

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  • Identifiers

    CAS number
    74560-02-4

    Molecular formula
    C14H14O5

    SMILES
    CC(C)(C1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 43.04%
    Odorless 34.92%
    Phenolic 32.7%
    Vanilla 32.67%
    Creamy 30.2%
    Powdery 28.25%
    Balsamic 24.11%
    Animal 23.26%
    Milky 21.22%
    Musk 20.81%

     

    Flavor
    Bitter 79.99%
    Cedarleaf 19.99%
    Parsley 19.24%
    Sweet-like 19.17%
    Lovage 19.02%
    Red fruit 18.81%
    Ripe apricot 18.77%
    Ethyl benzoate 18.7%
    Leaves 18.6%
    Odorless 18.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.49 (weak base)

    Molecular weight
    262.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    532°C

    Melting point expt.

    • 201 °C

    Flash point

    • 221.61 ˚C est.

  • Synonyms

    • Celereoin
    • Leptophyllin
    • 1-asarylethanone
    • 5-Hydroxymarmesin
    • CHEBI:174450
    • DTXSID701124725
    • 2',4',5'-Trimethoxy-Acetophenone
    • 1-(2,4,5-Trimethoxyphenyl)-Ethanone
    • 74560-02-4
    • 4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-7-one
    • 5-hydroxy-7-(2-hydroxypropan-2-yl)-2H,6H,7H-furo[3,2-g]chromen-2-one
    • (-)-2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one
    • 4-Hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
    • 74560-02-4

  • Applications

    Celereoin (CAS 74560-02-4) is typically used as an intermediate and solvent in chemical manufacturing, where it can serve as a building block for synthesis and as a processing aid in formulations. In coatings and inks, it functions as a solvent and formulation additive to improve solvency, flow, and processability. In cosmetics and personal care, it may act as a solvent or carrier in formulations, and can be employed as a processing aid during product manufacturing. Cleaning products and household formulations may utilize Celereoin as a solvent or carrier for active ingredients. In polymer and plastics processing, it can serve as a processing aid or co-solvent to facilitate mixing and dispersion. The exact role and permissible uses depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.47
    methanol 59.36
    isopropanol 21.6
    water 0.62
    ethyl acetate 28.91
    n-propanol 18.97
    acetone 68.52
    n-butanol 16.37
    acetonitrile 37.59
    DMF 392.45
    toluene 1.95
    isobutanol 14.29
    1,4-dioxane 53.86
    methyl acetate 44.13
    THF 145.99
    2-butanone 51.93
    n-pentanol 11.78
    sec-butanol 16.52
    n-hexane 0.1
    ethylene glycol 39.83
    NMP 221.6
    cyclohexane 0.18
    DMSO 440.19
    n-butyl acetate 25.72
    n-octanol 8.9
    chloroform 13.29
    n-propyl acetate 30.55
    acetic acid 96.91
    dichloromethane 14.72
    cyclohexanone 59.31
    propylene glycol 42.67
    isopropyl acetate 23.5
    DMAc 374.01
    2-ethoxyethanol 90.03
    isopentanol 21.26
    n-heptane 0.23
    ethyl formate 32.49
    1,2-dichloroethane 11.45
    n-hexanol 11.46
    2-methoxyethanol 180.78
    isobutyl acetate 20.94
    tetrachloromethane 1.45
    n-pentyl acetate 17.78
    transcutol 220.81
    n-heptanol 10.08
    ethylbenzene 1.9
    MIBK 26.43
    2-propoxyethanol 87.97
    tert-butanol 29.79
    MTBE 13.52
    2-butoxyethanol 46.45
    propionic acid 45.19
    o-xylene 2.75
    formic acid 118.06
    diethyl ether 8.4
    m-xylene 2.77
    p-xylene 3.58
    chlorobenzene 4.26
    dimethyl carbonate 49.67
    n-octane 0.14
    formamide 200.71
    cyclopentanone 109.05
    2-pentanone 34.6
    anisole 17.0
    cyclopentyl methyl ether 24.0
    gamma-butyrolactone 143.64
    1-methoxy-2-propanol 136.92
    pyridine 26.88
    3-pentanone 21.77
    furfural 109.26
    n-dodecane 0.24
    diethylene glycol 116.93
    diisopropyl ether 3.2
    tert-amyl alcohol 22.93
    acetylacetone 62.6
    n-hexadecane 0.29
    acetophenone 30.07
    methyl propionate 42.32
    isopentyl acetate 26.35
    trichloroethylene 31.96
    n-nonanol 9.37
    cyclohexanol 14.77
    benzyl alcohol 24.68
    2-ethylhexanol 8.34
    isooctanol 9.57
    dipropyl ether 7.81
    1,2-dichlorobenzene 6.62
    ethyl lactate 42.41
    propylene carbonate 69.84
    n-methylformamide 151.62
    2-pentanol 10.35
    n-pentane 0.09
    1-propoxy-2-propanol 55.84
    1-methoxy-2-propyl acetate 54.61
    2-(2-methoxypropoxy) propanol 63.92
    mesitylene 2.11
    ε-caprolactone 65.35
    p-cymene 3.49
    epichlorohydrin 117.69
    1,1,1-trichloroethane 7.85
    2-aminoethanol 45.38
    morpholine-4-carbaldehyde 224.98
    sulfolane 204.78
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 40.7
    n-hexyl acetate 23.24
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 72.76
    sec-butyl acetate 19.19
    tert-butyl acetate 28.68
    decalin 0.3
    glycerin 119.02
    diglyme 130.01
    acrylic acid 58.27
    isopropyl myristate 9.89
    n-butyric acid 44.35
    acetyl acetate 26.35
    di(2-ethylhexyl) phthalate 17.6
    ethyl propionate 25.84
    nitromethane 210.07
    1,2-diethoxyethane 30.9
    benzonitrile 21.12
    trioctyl phosphate 12.62
    1-bromopropane 3.29
    gamma-valerolactone 184.47
    n-decanol 6.99
    triethyl phosphate 18.81
    4-methyl-2-pentanol 9.88
    propionitrile 22.14
    vinylene carbonate 63.58
    1,1,2-trichlorotrifluoroethane 125.22
    DMS 38.1
    cumene 2.16
    2-octanol 6.48
    2-hexanone 26.79
    octyl acetate 13.72
    limonene 4.37
    1,2-dimethoxyethane 124.69
    ethyl orthosilicate 15.96
    tributyl phosphate 15.69
    diacetone alcohol 65.53
    N,N-dimethylaniline 14.07
    acrylonitrile 42.9
    aniline 10.08
    1,3-propanediol 65.7
    bromobenzene 3.15
    dibromomethane 5.65
    1,1,2,2-tetrachloroethane 26.14
    2-methyl-cyclohexyl acetate 23.08
    tetrabutyl urea 23.95
    diisobutyl methanol 6.33
    2-phenylethanol 22.59
    styrene 2.14
    dioctyl adipate 20.2
    dimethyl sulfate 105.15
    ethyl butyrate 21.82
    methyl lactate 72.91
    butyl lactate 29.58
    diethyl carbonate 19.35
    propanediol butyl ether 52.77
    triethyl orthoformate 20.68
    p-tert-butyltoluene 3.4
    methyl 4-tert-butylbenzoate 34.75
    morpholine 87.97
    tert-butylamine 7.18
    n-dodecanol 5.15
    dimethoxymethane 132.88
    ethylene carbonate 52.62
    cyrene 73.7
    2-ethoxyethyl acetate 36.94
    2-ethylhexyl acetate 18.99
    1,2,4-trichlorobenzene 11.97
    4-methylpyridine 28.07
    dibutyl ether 7.08
    2,6-dimethyl-4-heptanol 6.33
    DEF 61.81
    dimethyl isosorbide 92.24
    tetrachloroethylene 13.65
    eugenol 40.09
    triacetin 40.94
    span 80 37.05
    1,4-butanediol 25.07
    1,1-dichloroethane 7.07
    2-methyl-1-pentanol 13.91
    methyl formate 116.07
    2-methyl-1-butanol 16.32
    n-decane 0.37
    butyronitrile 18.34
    3,7-dimethyl-1-octanol 10.46
    1-chlorooctane 2.24
    1-chlorotetradecane 1.16
    n-nonane 0.25
    undecane 0.29
    tert-butylcyclohexane 0.28
    cyclooctane 0.11
    cyclopentanol 22.27
    tetrahydropyran 20.5
    tert-amyl methyl ether 12.16
    2,5,8-trioxanonane 98.33
    1-hexene 0.64
    2-isopropoxyethanol 54.92
    2,2,2-trifluoroethanol 51.08
    methyl butyrate 38.07

    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