Celerin

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  • Identifiers

    CAS number
    73815-20-0

    Molecular formula
    C15H16O4

    SMILES
    CC(C)(C=C)C1=CC(=C(C2=C1C=CC(=O)O2)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Woody 45.14%
    Spicy 40.53%
    Dry 39.55%
    Fruity 38.24%
    Phenolic 36.59%
    Sweet 31.43%
    Powdery 26.02%
    Musk 24.97%
    Leathery 23.63%
    Herbal 23.51%

     

    Flavor
    Bitter 61.01%
    Woody 25.78%
    Herbal 22.85%
    Spice 20.71%
    Parsley 20.39%
    Cedarleaf 20.3%
    Camphor 19.87%
    Lovage 19.54%
    Broom 19.23%
    Thymol 19.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.64 (neutral)

    Molecular weight
    260.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    430°C

    Melting point expt.

    • 158 - 159.5 °C

    Flash point

    • 168.28 ˚C est.

  • Synonyms

    • Celerin
    • UNII-G99WVK4E7Y
    • G99WVK4E7Y
    • 2H-1-BENZOPYRAN-2-ONE, 5-(1,1-DIMETHYL-2-PROPEN-1-YL)-8-HYDROXY-7-METHOXY-
    • RefChem:31955
    • 73815-20-0
    • 2H-1-Benzopyran-2-one, 5-(1,1-dimethyl-2-propenyl)-8-hydroxy-7-methoxy-
    • SCHEMBL31150423
    • DTXSID80224242
    • CHEBI:172503
    • 8-hydroxy-7-methoxy-5-(2-methylbut-3-en-2-yl)chromen-2-one
    • Q27278960
    • 8-hydroxy-7-methoxy-5-(2-methylbut-3-en-2-yl)-2H-chromen-2-one
    • 4-(1,1-Dimethyl-2-propenyl)-8-hydroxy-7-methoxy-2H-1-benzopyran-2-one
    • 8-Hydroxy-7-methoxy-5-(2-methylbut-3-en-2-yl)-2H-1-benzopyran-2-one
    • 73815-20-0

  • Applications

    Celerin (CAS 73815-20-0) is used as an intermediate in the synthesis of specialty chemicals and may function as a solvent or processing aid in industrial manufacturing. It may also be employed as an odorant or fixative component in fragrance formulations, and can act as a stabilizer or plasticizer in certain polymer systems. Additionally, it can serve as a surfactant or chelating agent in cleaning formulations, and is sometimes evaluated for use in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.52
    methanol 40.63
    isopropanol 20.94
    water 0.01
    ethyl acetate 23.15
    n-propanol 32.55
    acetone 44.55
    n-butanol 23.52
    acetonitrile 17.75
    DMF 239.15
    toluene 17.7
    isobutanol 22.49
    1,4-dioxane 46.07
    methyl acetate 40.76
    THF 182.53
    2-butanone 62.05
    n-pentanol 15.85
    sec-butanol 21.1
    n-hexane 0.11
    ethylene glycol 8.96
    NMP 157.04
    cyclohexane 0.41
    DMSO 136.94
    n-butyl acetate 20.7
    n-octanol 5.9
    chloroform 22.85
    n-propyl acetate 18.45
    acetic acid 29.69
    dichloromethane 45.19
    cyclohexanone 76.1
    propylene glycol 11.46
    isopropyl acetate 14.63
    DMAc 170.53
    2-ethoxyethanol 43.9
    isopentanol 23.09
    n-heptane 0.2
    ethyl formate 23.93
    1,2-dichloroethane 44.26
    n-hexanol 19.35
    2-methoxyethanol 101.87
    isobutyl acetate 12.24
    tetrachloromethane 2.33
    n-pentyl acetate 16.11
    transcutol 73.7
    n-heptanol 10.34
    ethylbenzene 7.63
    MIBK 18.9
    2-propoxyethanol 49.94
    tert-butanol 32.43
    MTBE 16.24
    2-butoxyethanol 31.74
    propionic acid 22.8
    o-xylene 11.02
    formic acid 16.69
    diethyl ether 9.84
    m-xylene 10.46
    p-xylene 11.1
    chlorobenzene 21.15
    dimethyl carbonate 21.15
    n-octane 0.14
    formamide 47.68
    cyclopentanone 131.1
    2-pentanone 32.64
    anisole 24.74
    cyclopentyl methyl ether 32.57
    gamma-butyrolactone 120.25
    1-methoxy-2-propanol 58.75
    pyridine 96.09
    3-pentanone 22.81
    furfural 99.27
    n-dodecane 0.16
    diethylene glycol 40.27
    diisopropyl ether 2.24
    tert-amyl alcohol 28.35
    acetylacetone 37.33
    n-hexadecane 0.2
    acetophenone 32.93
    methyl propionate 32.43
    isopentyl acetate 23.2
    trichloroethylene 88.86
    n-nonanol 6.18
    cyclohexanol 19.75
    benzyl alcohol 32.64
    2-ethylhexanol 10.61
    isooctanol 9.1
    dipropyl ether 6.18
    1,2-dichlorobenzene 18.87
    ethyl lactate 12.63
    propylene carbonate 42.36
    n-methylformamide 82.54
    2-pentanol 10.79
    n-pentane 0.14
    1-propoxy-2-propanol 28.26
    1-methoxy-2-propyl acetate 29.84
    2-(2-methoxypropoxy) propanol 27.23
    mesitylene 4.38
    ε-caprolactone 59.17
    p-cymene 6.23
    epichlorohydrin 165.18
    1,1,1-trichloroethane 15.78
    2-aminoethanol 22.83
    morpholine-4-carbaldehyde 118.57
    sulfolane 139.37
    2,2,4-trimethylpentane 0.35
    2-methyltetrahydrofuran 69.87
    n-hexyl acetate 16.52
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 35.51
    sec-butyl acetate 12.22
    tert-butyl acetate 21.27
    decalin 0.49
    glycerin 25.18
    diglyme 72.57
    acrylic acid 24.81
    isopropyl myristate 5.87
    n-butyric acid 28.17
    acetyl acetate 13.54
    di(2-ethylhexyl) phthalate 10.94
    ethyl propionate 15.49
    nitromethane 65.62
    1,2-diethoxyethane 18.25
    benzonitrile 27.41
    trioctyl phosphate 6.91
    1-bromopropane 13.19
    gamma-valerolactone 151.06
    n-decanol 4.43
    triethyl phosphate 10.99
    4-methyl-2-pentanol 7.8
    propionitrile 22.56
    vinylene carbonate 37.7
    1,1,2-trichlorotrifluoroethane 74.38
    DMS 21.3
    cumene 5.37
    2-octanol 5.64
    2-hexanone 21.57
    octyl acetate 8.21
    limonene 6.94
    1,2-dimethoxyethane 74.54
    ethyl orthosilicate 10.62
    tributyl phosphate 7.37
    diacetone alcohol 44.06
    N,N-dimethylaniline 19.91
    acrylonitrile 40.04
    aniline 36.12
    1,3-propanediol 37.73
    bromobenzene 17.5
    dibromomethane 19.72
    1,1,2,2-tetrachloroethane 53.3
    2-methyl-cyclohexyl acetate 19.24
    tetrabutyl urea 12.38
    diisobutyl methanol 5.97
    2-phenylethanol 33.09
    styrene 8.46
    dioctyl adipate 11.96
    dimethyl sulfate 43.67
    ethyl butyrate 14.35
    methyl lactate 20.43
    butyl lactate 16.48
    diethyl carbonate 11.17
    propanediol butyl ether 22.81
    triethyl orthoformate 11.88
    p-tert-butyltoluene 5.91
    methyl 4-tert-butylbenzoate 25.49
    morpholine 84.35
    tert-butylamine 10.61
    n-dodecanol 3.05
    dimethoxymethane 78.26
    ethylene carbonate 26.25
    cyrene 41.56
    2-ethoxyethyl acetate 28.39
    2-ethylhexyl acetate 17.38
    1,2,4-trichlorobenzene 27.67
    4-methylpyridine 81.59
    dibutyl ether 4.22
    2,6-dimethyl-4-heptanol 5.97
    DEF 48.05
    dimethyl isosorbide 60.51
    tetrachloroethylene 31.59
    eugenol 29.06
    triacetin 18.41
    span 80 19.32
    1,4-butanediol 10.74
    1,1-dichloroethane 18.7
    2-methyl-1-pentanol 18.76
    methyl formate 56.3
    2-methyl-1-butanol 22.82
    n-decane 0.26
    butyronitrile 18.86
    3,7-dimethyl-1-octanol 7.04
    1-chlorooctane 2.19
    1-chlorotetradecane 0.94
    n-nonane 0.18
    undecane 0.2
    tert-butylcyclohexane 0.48
    cyclooctane 0.12
    cyclopentanol 30.46
    tetrahydropyran 39.59
    tert-amyl methyl ether 13.33
    2,5,8-trioxanonane 48.55
    1-hexene 1.38
    2-isopropoxyethanol 27.92
    2,2,2-trifluoroethanol 10.85
    methyl butyrate 25.24

    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