Strobopinin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    491-66-7

    Molecular formula
    C16H14O4

    SMILES
    CC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=CC=C3)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 59.28%
    Sweet 45.6%
    Spicy 45.18%
    Odorless 35.5%
    Vanilla 31.05%
    Smoky 30.08%
    Medicinal 29.25%
    Balsamic 27.42%
    Burnt 27.34%
    Coconut 24.12%

     

    Flavor
    Bitter 90.02%
    Lovage 21.47%
    Cedarleaf 20.69%
    Parsley 20.15%
    Sweet-like 19.61%
    Ripe apricot 19.58%
    Ethyl benzoate 19.45%
    Red fruit 19.25%
    Nitrile 19.16%
    Basil 18.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.57 (weak base)

    Molecular weight
    270.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    781°C

    Flash point

    • 212.01 ˚C est.

  • Synonyms

    • Strobopinin
    • CHEBI:9292
    • DTXSID60911547
    • RefChem:932294
    • GlyTouCan:G99517BF
    • DTXCID301526082
    • (2S)-5,7-dihydroxy-6-methyl-2-phenyl-2,3-dihydrochromen-4-one
    • G99517BF
    • 491-66-7
    • (2S)-5,7-dihydroxy-6-methyl-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
    • C09939
    • CHEMBL227611
    • SCHEMBL4740200
    • INBPQAJYHSJVRY-ZDUSSCGKSA-N
    • LMPK12140187
    • AK-693/40760143
    • Q27108348
    • 491-66-7

  • Applications

    Strobopinin (CAS 491-66-7) is typically used as an intermediate in chemical synthesis and as a solvent in industrial manufacturing processes; it is also evaluated as a stabilizer or processing aid in polymer formulations, and commonly employed as a solvent or additive in coatings and inks; additionally, it may be used as a solvent in cleaning formulations and for related processing applications, depending on formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.9
    methanol 32.91
    isopropanol 32.76
    water 0.04
    ethyl acetate 81.64
    n-propanol 18.62
    acetone 287.65
    n-butanol 20.24
    acetonitrile 110.46
    DMF 389.51
    toluene 13.23
    isobutanol 20.02
    1,4-dioxane 246.33
    methyl acetate 110.16
    THF 749.2
    2-butanone 160.98
    n-pentanol 19.08
    sec-butanol 21.13
    n-hexane 0.14
    ethylene glycol 18.74
    NMP 145.99
    cyclohexane 0.43
    DMSO 1329.21
    n-butyl acetate 42.52
    n-octanol 9.78
    chloroform 63.8
    n-propyl acetate 46.32
    acetic acid 54.84
    dichloromethane 53.47
    cyclohexanone 150.02
    propylene glycol 31.28
    isopropyl acetate 52.21
    DMAc 363.89
    2-ethoxyethanol 84.56
    isopentanol 28.73
    n-heptane 0.45
    ethyl formate 45.75
    1,2-dichloroethane 72.58
    n-hexanol 17.29
    2-methoxyethanol 189.71
    isobutyl acetate 30.35
    tetrachloromethane 4.08
    n-pentyl acetate 20.87
    transcutol 353.6
    n-heptanol 10.08
    ethylbenzene 6.57
    MIBK 58.2
    2-propoxyethanol 98.75
    tert-butanol 78.51
    MTBE 36.48
    2-butoxyethanol 40.3
    propionic acid 40.64
    o-xylene 8.63
    formic acid 24.11
    diethyl ether 27.12
    m-xylene 9.79
    p-xylene 9.91
    chlorobenzene 22.6
    dimethyl carbonate 85.46
    n-octane 0.24
    formamide 84.0
    cyclopentanone 312.41
    2-pentanone 98.22
    anisole 42.45
    cyclopentyl methyl ether 77.15
    gamma-butyrolactone 260.58
    1-methoxy-2-propanol 163.8
    pyridine 70.0
    3-pentanone 75.89
    furfural 150.86
    n-dodecane 0.6
    diethylene glycol 119.85
    diisopropyl ether 9.65
    tert-amyl alcohol 34.86
    acetylacetone 198.16
    n-hexadecane 0.73
    acetophenone 45.3
    methyl propionate 88.41
    isopentyl acetate 41.21
    trichloroethylene 138.02
    n-nonanol 10.72
    cyclohexanol 30.08
    benzyl alcohol 33.6
    2-ethylhexanol 13.55
    isooctanol 10.31
    dipropyl ether 20.43
    1,2-dichlorobenzene 22.03
    ethyl lactate 41.49
    propylene carbonate 83.79
    n-methylformamide 121.06
    2-pentanol 17.98
    n-pentane 0.13
    1-propoxy-2-propanol 70.26
    1-methoxy-2-propyl acetate 85.68
    2-(2-methoxypropoxy) propanol 70.74
    mesitylene 6.64
    ε-caprolactone 87.96
    p-cymene 7.76
    epichlorohydrin 314.97
    1,1,1-trichloroethane 44.82
    2-aminoethanol 25.04
    morpholine-4-carbaldehyde 199.83
    sulfolane 378.01
    2,2,4-trimethylpentane 0.52
    2-methyltetrahydrofuran 131.99
    n-hexyl acetate 32.03
    isooctane 0.58
    2-(2-butoxyethoxy)ethanol 90.77
    sec-butyl acetate 31.47
    tert-butyl acetate 66.93
    decalin 0.77
    glycerin 79.24
    diglyme 198.18
    acrylic acid 45.87
    isopropyl myristate 17.84
    n-butyric acid 49.83
    acetyl acetate 61.52
    di(2-ethylhexyl) phthalate 19.76
    ethyl propionate 48.42
    nitromethane 316.59
    1,2-diethoxyethane 78.38
    benzonitrile 41.4
    trioctyl phosphate 14.92
    1-bromopropane 13.14
    gamma-valerolactone 285.07
    n-decanol 9.02
    triethyl phosphate 27.46
    4-methyl-2-pentanol 15.81
    propionitrile 64.72
    vinylene carbonate 73.6
    1,1,2-trichlorotrifluoroethane 145.86
    DMS 58.37
    cumene 5.51
    2-octanol 7.06
    2-hexanone 57.07
    octyl acetate 20.31
    limonene 9.94
    1,2-dimethoxyethane 198.68
    ethyl orthosilicate 23.29
    tributyl phosphate 21.07
    diacetone alcohol 106.8
    N,N-dimethylaniline 22.98
    acrylonitrile 100.29
    aniline 33.08
    1,3-propanediol 56.08
    bromobenzene 19.55
    dibromomethane 24.82
    1,1,2,2-tetrachloroethane 110.88
    2-methyl-cyclohexyl acetate 31.75
    tetrabutyl urea 29.31
    diisobutyl methanol 12.88
    2-phenylethanol 33.78
    styrene 8.25
    dioctyl adipate 30.35
    dimethyl sulfate 160.74
    ethyl butyrate 37.21
    methyl lactate 79.66
    butyl lactate 29.37
    diethyl carbonate 31.19
    propanediol butyl ether 43.73
    triethyl orthoformate 31.92
    p-tert-butyltoluene 7.52
    methyl 4-tert-butylbenzoate 41.44
    morpholine 223.89
    tert-butylamine 19.77
    n-dodecanol 7.45
    dimethoxymethane 283.15
    ethylene carbonate 68.09
    cyrene 69.22
    2-ethoxyethyl acetate 49.2
    2-ethylhexyl acetate 29.23
    1,2,4-trichlorobenzene 33.05
    4-methylpyridine 67.01
    dibutyl ether 18.09
    2,6-dimethyl-4-heptanol 12.88
    DEF 82.55
    dimethyl isosorbide 128.26
    tetrachloroethylene 42.09
    eugenol 43.05
    triacetin 55.1
    span 80 41.96
    1,4-butanediol 21.25
    1,1-dichloroethane 49.36
    2-methyl-1-pentanol 20.02
    methyl formate 122.28
    2-methyl-1-butanol 19.73
    n-decane 0.8
    butyronitrile 41.68
    3,7-dimethyl-1-octanol 14.77
    1-chlorooctane 5.49
    1-chlorotetradecane 2.98
    n-nonane 0.56
    undecane 0.69
    tert-butylcyclohexane 0.81
    cyclooctane 0.23
    cyclopentanol 46.0
    tetrahydropyran 104.06
    tert-amyl methyl ether 25.22
    2,5,8-trioxanonane 146.44
    1-hexene 1.23
    2-isopropoxyethanol 60.77
    2,2,2-trifluoroethanol 33.28
    methyl butyrate 59.67

    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