Citbrasine

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  • Identifiers

    CAS number
    86680-34-4

    Molecular formula
    C17H17NO6

    SMILES
    CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 56.1%
    Spicy 39.29%
    Smoky 38.03%
    Burnt 37.85%
    Vanilla 34.61%
    Woody 33.97%
    Odorless 32.63%
    Balsamic 29.12%
    Dry 28.84%
    Fruity 28.19%

     

    Flavor
    Bitter 84.66%
    Bland 27.16%
    Odorless 25.37%
    Parsley 21.7%
    Eugenol 21.29%
    Sweet-like 20.93%
    Cedarleaf 20.26%
    Lovage 19.48%
    Ham 19.42%
    Very strong 19.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.24 (weak base)

    Molecular weight
    331.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    870°C

    Melting point expt.

    • 154 - 156 °C

    Flash point

    • 256.45 ˚C est.

  • Synonyms

    • Citibrasine
    • Citbrasine
    • CHEMBL1668599
    • GTPL8561
    • SCHEMBL9352197
    • DTXSID401192210
    • 1,5-dihydroxy-2,3,4-trimethoxy-10-methyl-9,10-dihydroacridin-9-one
    • BDBM50336482
    • compound 7 [PMID: 21277783]
    • 86680-34-4
    • 1,5-Dihydroxy-2,3,4-trimethoxy-10-methylacridone
    • Q27076083
    • 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one
    • 1,5-Dihydroxy-2,3,4-trimethoxy-10-methyl-9(10H)-acridinone
    • 1,5-Dihydroxy-2,3,4-trimethoxy-10-methylacridin-9(10H)-one
    • 86680-34-4

  • Applications

    Citbrasine (CAS 86680-34-4) is used primarily as an odorant and fragrance ingredient, with applications across perfumery, cosmetics/personal care, and flavor formulations where it helps impart citrus-like notes; it can be included in household products and cleaning agents to deliver a fresh scent; it is also evaluated for use in coatings and inks as a fragrance additive; in polymer/plastics formulations it may serve as a fragrance component or processing aid under formulation controls; all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.45
    methanol 1.91
    isopropanol 0.78
    water 0.07
    ethyl acetate 3.37
    n-propanol 1.2
    acetone 2.69
    n-butanol 1.12
    acetonitrile 2.17
    DMF 10.2
    toluene 0.41
    isobutanol 0.91
    1,4-dioxane 3.21
    methyl acetate 3.48
    THF 6.12
    2-butanone 2.95
    n-pentanol 1.25
    sec-butanol 0.85
    n-hexane 0.09
    ethylene glycol 2.01
    NMP 21.8
    cyclohexane 0.16
    DMSO 13.7
    n-butyl acetate 3.83
    n-octanol 1.2
    chloroform 4.38
    n-propyl acetate 2.95
    acetic acid 7.89
    dichloromethane 6.36
    cyclohexanone 7.27
    propylene glycol 0.62
    isopropyl acetate 1.93
    DMAc 15.86
    2-ethoxyethanol 4.91
    isopentanol 1.22
    n-heptane 0.16
    ethyl formate 3.75
    1,2-dichloroethane 5.45
    n-hexanol 2.05
    2-methoxyethanol 7.84
    isobutyl acetate 1.72
    tetrachloromethane 1.51
    n-pentyl acetate 3.52
    transcutol 5.33
    n-heptanol 1.81
    ethylbenzene 0.61
    MIBK 1.84
    2-propoxyethanol 7.87
    tert-butanol 1.13
    MTBE 0.69
    2-butoxyethanol 5.51
    propionic acid 3.36
    o-xylene 0.73
    formic acid 9.4
    diethyl ether 1.01
    m-xylene 0.47
    p-xylene 0.84
    chlorobenzene 1.42
    dimethyl carbonate 4.84
    n-octane 0.11
    formamide 12.95
    cyclopentanone 9.31
    2-pentanone 2.55
    anisole 1.36
    cyclopentyl methyl ether 2.17
    gamma-butyrolactone 14.85
    1-methoxy-2-propanol 3.72
    pyridine 4.78
    3-pentanone 2.6
    furfural 16.56
    n-dodecane 0.1
    diethylene glycol 11.66
    diisopropyl ether 0.34
    tert-amyl alcohol 1.25
    acetylacetone 4.02
    n-hexadecane 0.12
    acetophenone 4.07
    methyl propionate 4.38
    isopentyl acetate 3.69
    trichloroethylene 9.96
    n-nonanol 1.36
    cyclohexanol 1.72
    benzyl alcohol 2.67
    2-ethylhexanol 1.8
    isooctanol 1.56
    dipropyl ether 1.22
    1,2-dichlorobenzene 2.85
    ethyl lactate 3.22
    propylene carbonate 8.35
    n-methylformamide 7.01
    2-pentanol 0.69
    n-pentane 0.08
    1-propoxy-2-propanol 3.93
    1-methoxy-2-propyl acetate 5.51
    2-(2-methoxypropoxy) propanol 4.49
    mesitylene 0.38
    ε-caprolactone 8.03
    p-cymene 1.23
    epichlorohydrin 12.38
    1,1,1-trichloroethane 2.53
    2-aminoethanol 1.88
    morpholine-4-carbaldehyde 16.26
    sulfolane 23.43
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 3.39
    n-hexyl acetate 3.09
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 4.99
    sec-butyl acetate 1.74
    tert-butyl acetate 2.34
    decalin 0.18
    glycerin 3.6
    diglyme 10.07
    acrylic acid 5.22
    isopropyl myristate 1.29
    n-butyric acid 3.84
    acetyl acetate 3.45
    di(2-ethylhexyl) phthalate 2.74
    ethyl propionate 2.98
    nitromethane 14.41
    1,2-diethoxyethane 2.27
    benzonitrile 3.46
    trioctyl phosphate 2.23
    1-bromopropane 1.56
    gamma-valerolactone 14.82
    n-decanol 1.03
    triethyl phosphate 3.79
    4-methyl-2-pentanol 0.62
    propionitrile 2.43
    vinylene carbonate 8.88
    1,1,2-trichlorotrifluoroethane 19.05
    DMS 5.24
    cumene 0.68
    2-octanol 1.06
    2-hexanone 2.68
    octyl acetate 1.93
    limonene 1.45
    1,2-dimethoxyethane 6.95
    ethyl orthosilicate 3.13
    tributyl phosphate 2.5
    diacetone alcohol 4.46
    N,N-dimethylaniline 1.71
    acrylonitrile 4.77
    aniline 1.53
    1,3-propanediol 3.11
    bromobenzene 1.13
    dibromomethane 3.44
    1,1,2,2-tetrachloroethane 7.11
    2-methyl-cyclohexyl acetate 3.95
    tetrabutyl urea 3.73
    diisobutyl methanol 0.94
    2-phenylethanol 4.28
    styrene 0.56
    dioctyl adipate 2.42
    dimethyl sulfate 12.08
    ethyl butyrate 3.11
    methyl lactate 4.78
    butyl lactate 3.51
    diethyl carbonate 3.1
    propanediol butyl ether 2.95
    triethyl orthoformate 2.79
    p-tert-butyltoluene 1.01
    methyl 4-tert-butylbenzoate 5.03
    morpholine 4.73
    tert-butylamine 0.57
    n-dodecanol 0.78
    dimethoxymethane 5.82
    ethylene carbonate 6.87
    cyrene 8.54
    2-ethoxyethyl acetate 5.16
    2-ethylhexyl acetate 3.32
    1,2,4-trichlorobenzene 3.72
    4-methylpyridine 3.07
    dibutyl ether 0.97
    2,6-dimethyl-4-heptanol 0.94
    DEF 6.16
    dimethyl isosorbide 9.82
    tetrachloroethylene 7.88
    eugenol 5.75
    triacetin 4.29
    span 80 3.42
    1,4-butanediol 1.56
    1,1-dichloroethane 2.0
    2-methyl-1-pentanol 1.47
    methyl formate 6.49
    2-methyl-1-butanol 1.17
    n-decane 0.16
    butyronitrile 2.01
    3,7-dimethyl-1-octanol 1.12
    1-chlorooctane 0.78
    1-chlorotetradecane 0.38
    n-nonane 0.13
    undecane 0.12
    tert-butylcyclohexane 0.12
    cyclooctane 0.08
    cyclopentanol 2.12
    tetrahydropyran 1.89
    tert-amyl methyl ether 0.99
    2,5,8-trioxanonane 7.52
    1-hexene 0.34
    2-isopropoxyethanol 3.06
    2,2,2-trifluoroethanol 9.32
    methyl butyrate 4.04

    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