Cabreuvin

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  • Identifiers

    CAS number
    1621-61-0

    Molecular formula
    C18H16O5

    SMILES
    COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 74.74%
    Vanilla 56.19%
    Phenolic 50.59%
    Spicy 45.6%
    Powdery 45.48%
    Floral 41.91%
    Balsamic 34.8%
    Fruity 33.5%
    Smoky 33.29%
    Creamy 33.09%

     

    Flavor
    Bitter 91.41%
    Parsley 20.51%
    Eugenol 19.18%
    Lovage 19.07%
    Cedarleaf 18.94%
    Aniseed 18.46%
    Tarragon 18.35%
    Ripe apricot 18.35%
    Sweet-like 18.22%
    Very strong 18.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.04 (neutral)

    Molecular weight
    312.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    505°C

    Melting point expt.

    • 165 °C

    Flash point

    • 188.9 ˚C est.

  • Synonyms

    • Cabreuvin
    • RefChem:917812
    • 7,3',4'-Trimethoxyisoflavone
    • 1621-61-0
    • 3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
    • 3',4',7-Trimethoxyisoflavone
    • 3-(3,4-Dimethoxyphenyl)-7-methoxy-4H-chromen-4-one
    • 4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-7-methoxy-
    • 7-Methoxy-3-(3,4-dimethoxyphenyl)-4H-chromen-4-one
    • 3-(3,4-Dimethoxyphenyl)-7-methoxy-4H-1-Benzopyran-4-one
    • TimTec1_006616
    • MLS001048876
    • SCHEMBL571161
    • CHEMBL273891
    • F3385-0894
    • orb2943047
    • SCHEMBL29482681
    • DTXSID70167311
    • CHEBI:174979
    • UKWLNMIPRJLYGH-UHFFFAOYSA-N
    • HMS1552M16
    • HMS2268E05
    • LMPK12050060
    • STK948997
    • AKOS002223589
    • FT66595
    • NCGC00246228-01
    • NCGC00246228-02
    • SMR000387074
    • ST058451
    • VU0254721-3
    • AB00637047-07
    • 3-(3,4-dimethoxyphenyl)-7-methoxy-chromen-4-one
    • BRD-K83900437-001-01-7
    • 3-(3,4-Dimethoxyphenyl)-7-methoxy-4H-chromen-4-one #
    • 1621-61-0

  • Applications

    Cabreuvin, CAS 1621-61-0, is primarily used as a fragrance ingredient and a fixative in the perfumery and cosmetics industries; as an odorant and fixative, it helps establish and prolong scent in perfumes, personal care products, and certain household products with fragrance. It is also regarded as an intermediate in the industrial synthesis of aroma chemicals and may be incorporated in formulas to develop or enhance aroma. Additionally, cabreuvin can be used as a fragrance additive in coatings and inks to impart or enhance odor, as well as in cleaning and household care products. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.38
    methanol 0.32
    isopropanol 0.53
    water 0.0
    ethyl acetate 3.69
    n-propanol 0.71
    acetone 3.8
    n-butanol 0.64
    acetonitrile 3.12
    DMF 9.41
    toluene 1.15
    isobutanol 0.72
    1,4-dioxane 7.93
    methyl acetate 4.91
    THF 18.45
    2-butanone 4.98
    n-pentanol 0.89
    sec-butanol 0.93
    n-hexane 0.21
    ethylene glycol 0.41
    NMP 13.29
    cyclohexane 0.34
    DMSO 23.57
    n-butyl acetate 3.35
    n-octanol 0.61
    chloroform 19.88
    n-propyl acetate 3.62
    acetic acid 4.04
    dichloromethane 27.96
    cyclohexanone 8.18
    propylene glycol 0.34
    isopropyl acetate 2.97
    DMAc 20.15
    2-ethoxyethanol 4.01
    isopentanol 1.0
    n-heptane 0.29
    ethyl formate 2.12
    1,2-dichloroethane 16.94
    n-hexanol 0.94
    2-methoxyethanol 3.79
    isobutyl acetate 2.4
    tetrachloromethane 1.58
    n-pentyl acetate 2.62
    transcutol 15.96
    n-heptanol 0.83
    ethylbenzene 1.07
    MIBK 2.83
    2-propoxyethanol 5.04
    tert-butanol 1.36
    MTBE 2.18
    2-butoxyethanol 3.32
    propionic acid 2.46
    o-xylene 1.32
    formic acid 1.37
    diethyl ether 2.76
    m-xylene 0.86
    p-xylene 1.64
    chlorobenzene 2.75
    dimethyl carbonate 4.37
    n-octane 0.12
    formamide 3.37
    cyclopentanone 11.9
    2-pentanone 2.98
    anisole 3.43
    cyclopentyl methyl ether 4.91
    gamma-butyrolactone 15.24
    1-methoxy-2-propanol 2.89
    pyridine 7.64
    3-pentanone 4.68
    furfural 14.56
    n-dodecane 0.11
    diethylene glycol 4.56
    diisopropyl ether 1.16
    tert-amyl alcohol 1.73
    acetylacetone 6.66
    n-hexadecane 0.14
    acetophenone 4.89
    methyl propionate 4.3
    isopentyl acetate 3.99
    trichloroethylene 31.23
    n-nonanol 0.86
    cyclohexanol 1.53
    benzyl alcohol 2.38
    2-ethylhexanol 1.37
    isooctanol 1.03
    dipropyl ether 3.36
    1,2-dichlorobenzene 4.33
    ethyl lactate 2.51
    propylene carbonate 5.85
    n-methylformamide 2.8
    2-pentanol 0.66
    n-pentane 0.12
    1-propoxy-2-propanol 3.85
    1-methoxy-2-propyl acetate 6.39
    2-(2-methoxypropoxy) propanol 6.73
    mesitylene 0.73
    ε-caprolactone 7.77
    p-cymene 1.34
    epichlorohydrin 25.16
    1,1,1-trichloroethane 7.61
    2-aminoethanol 0.64
    morpholine-4-carbaldehyde 15.61
    sulfolane 28.94
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 7.7
    n-hexyl acetate 2.45
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 6.03
    sec-butyl acetate 2.89
    tert-butyl acetate 4.42
    decalin 0.35
    glycerin 1.58
    diglyme 18.39
    acrylic acid 3.48
    isopropyl myristate 1.73
    n-butyric acid 2.32
    acetyl acetate 3.79
    di(2-ethylhexyl) phthalate 2.28
    ethyl propionate 4.49
    nitromethane 14.08
    1,2-diethoxyethane 6.96
    benzonitrile 3.13
    trioctyl phosphate 1.29
    1-bromopropane 4.25
    gamma-valerolactone 15.93
    n-decanol 0.7
    triethyl phosphate 4.57
    4-methyl-2-pentanol 0.75
    propionitrile 2.66
    vinylene carbonate 6.1
    1,1,2-trichlorotrifluoroethane 18.57
    DMS 5.75
    cumene 1.1
    2-octanol 0.64
    2-hexanone 3.76
    octyl acetate 1.84
    limonene 1.73
    1,2-dimethoxyethane 12.31
    ethyl orthosilicate 4.34
    tributyl phosphate 2.06
    diacetone alcohol 4.68
    N,N-dimethylaniline 3.47
    acrylonitrile 4.47
    aniline 2.16
    1,3-propanediol 1.12
    bromobenzene 3.12
    dibromomethane 12.66
    1,1,2,2-tetrachloroethane 21.77
    2-methyl-cyclohexyl acetate 4.91
    tetrabutyl urea 3.14
    diisobutyl methanol 1.34
    2-phenylethanol 2.72
    styrene 1.12
    dioctyl adipate 3.69
    dimethyl sulfate 12.18
    ethyl butyrate 4.57
    methyl lactate 2.92
    butyl lactate 2.46
    diethyl carbonate 4.18
    propanediol butyl ether 1.76
    triethyl orthoformate 4.98
    p-tert-butyltoluene 1.23
    methyl 4-tert-butylbenzoate 5.97
    morpholine 8.16
    tert-butylamine 0.82
    n-dodecanol 0.59
    dimethoxymethane 7.4
    ethylene carbonate 4.72
    cyrene 8.03
    2-ethoxyethyl acetate 5.88
    2-ethylhexyl acetate 3.5
    1,2,4-trichlorobenzene 6.16
    4-methylpyridine 4.48
    dibutyl ether 2.15
    2,6-dimethyl-4-heptanol 1.34
    DEF 6.3
    dimethyl isosorbide 16.21
    tetrachloroethylene 13.1
    eugenol 5.85
    triacetin 5.9
    span 80 3.69
    1,4-butanediol 0.63
    1,1-dichloroethane 5.82
    2-methyl-1-pentanol 1.48
    methyl formate 2.86
    2-methyl-1-butanol 1.0
    n-decane 0.19
    butyronitrile 1.77
    3,7-dimethyl-1-octanol 1.01
    1-chlorooctane 0.78
    1-chlorotetradecane 0.43
    n-nonane 0.14
    undecane 0.14
    tert-butylcyclohexane 0.28
    cyclooctane 0.13
    cyclopentanol 1.93
    tetrahydropyran 5.27
    tert-amyl methyl ether 2.62
    2,5,8-trioxanonane 13.9
    1-hexene 0.74
    2-isopropoxyethanol 3.42
    2,2,2-trifluoroethanol 3.66
    methyl butyrate 4.8

    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