Citrusinine II

Overview IFRA Request a quote

  • Identifiers

    CAS number
    86680-33-3

    Molecular formula
    C15H13NO5

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 56.34%
    Odorless 49.93%
    Burnt 36.05%
    Smoky 30.14%
    Spicy 27.0%
    Medicinal 25.04%
    Dry 24.02%
    Vanilla 22.07%
    Woody 21.42%
    Balsamic 21.09%

     

    Flavor
    Bitter 93.18%
    Odorless 29.28%
    Bland 23.53%
    Sweet-like 21.47%
    Cedarleaf 20.63%
    Parsley 20.33%
    Very strong 20.28%
    Eugenol 20.2%
    Indole 20.0%
    Nitrile 19.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.84 (weak base)

    Molecular weight
    287.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    922°C

    Melting point expt.

    • 244 - 246 °C

    Flash point

    • 270.77 ˚C est.

  • Synonyms

    • Citrusinine II
    • citrusinine-II
    • 1,3,5-TRIHYDROXY-4-METHOXY-10-METHYLACRIDIN-9-ONE
    • 1,3,5-trihydroxy-4-methoxy-10-methyl-9,10-dihydroacridin-9-one
    • RefChem:1082002
    • CHEMBL465847
    • 1,3,5-trihydroxy-4-methoxy-10-methylacridone
    • 86680-33-3
    • 1,3,5-Trihydroxy-4-methoxy-10-methyl-9(10H)-acridinone
    • SCHEMBL31384316
    • GTPL11377
    • CHEBI:230775
    • DTXSID201211167
    • BDBM50336480
    • compound 5 [PMID: 21277783]
    • 1,3,5-Trihydroxy-4-methoxy-10-methylacridin-9(10H)-one
    • 86680-33-3

  • Applications

    Citrusinine II (CAS 86680-33-3) is primarily encountered as a fragrance- and flavor-related compound, typically used as an odorant in perfumery and flavor formulations and often evaluated as an intermediate in the synthesis of specialty chemicals. In cosmetics and personal care, it may serve as a fragrance ingredient; in coatings and inks, it can function as an additive or a component for specific formulations; in household products and cleaning applications, it may be explored as a fragrance contributor within formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.2
    methanol 3.24
    isopropanol 1.5
    water 0.05
    ethyl acetate 3.31
    n-propanol 2.18
    acetone 1.28
    n-butanol 2.24
    acetonitrile 1.24
    DMF 17.69
    toluene 0.19
    isobutanol 1.58
    1,4-dioxane 2.33
    methyl acetate 2.77
    THF 10.3
    2-butanone 3.41
    n-pentanol 1.79
    sec-butanol 1.97
    n-hexane 0.05
    ethylene glycol 3.85
    NMP 25.51
    cyclohexane 0.05
    DMSO 35.9
    n-butyl acetate 4.66
    n-octanol 1.77
    chloroform 1.25
    n-propyl acetate 2.95
    acetic acid 6.16
    dichloromethane 1.89
    cyclohexanone 6.91
    propylene glycol 1.79
    isopropyl acetate 2.3
    DMAc 25.48
    2-ethoxyethanol 7.53
    isopentanol 2.21
    n-heptane 0.1
    ethyl formate 2.93
    1,2-dichloroethane 2.46
    n-hexanol 3.22
    2-methoxyethanol 17.16
    isobutyl acetate 1.42
    tetrachloromethane 0.5
    n-pentyl acetate 3.89
    transcutol 9.97
    n-heptanol 2.82
    ethylbenzene 0.31
    MIBK 2.53
    2-propoxyethanol 13.96
    tert-butanol 2.14
    MTBE 0.85
    2-butoxyethanol 8.86
    propionic acid 3.7
    o-xylene 0.43
    formic acid 10.41
    diethyl ether 1.2
    m-xylene 0.3
    p-xylene 0.37
    chlorobenzene 0.51
    dimethyl carbonate 5.57
    n-octane 0.06
    formamide 15.54
    cyclopentanone 10.24
    2-pentanone 3.02
    anisole 1.33
    cyclopentyl methyl ether 3.45
    gamma-butyrolactone 14.64
    1-methoxy-2-propanol 11.24
    pyridine 2.91
    3-pentanone 2.76
    furfural 12.82
    n-dodecane 0.06
    diethylene glycol 19.43
    diisopropyl ether 0.38
    tert-amyl alcohol 2.62
    acetylacetone 3.69
    n-hexadecane 0.07
    acetophenone 3.17
    methyl propionate 5.45
    isopentyl acetate 4.23
    trichloroethylene 3.7
    n-nonanol 1.93
    cyclohexanol 2.58
    benzyl alcohol 2.3
    2-ethylhexanol 2.43
    isooctanol 2.22
    dipropyl ether 1.76
    1,2-dichlorobenzene 1.12
    ethyl lactate 4.68
    propylene carbonate 6.53
    n-methylformamide 9.3
    2-pentanol 1.57
    n-pentane 0.05
    1-propoxy-2-propanol 8.43
    1-methoxy-2-propyl acetate 8.16
    2-(2-methoxypropoxy) propanol 7.09
    mesitylene 0.25
    ε-caprolactone 8.21
    p-cymene 0.9
    epichlorohydrin 12.87
    1,1,1-trichloroethane 0.87
    2-aminoethanol 4.01
    morpholine-4-carbaldehyde 19.04
    sulfolane 30.3
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 4.25
    n-hexyl acetate 3.8
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 7.92
    sec-butyl acetate 1.85
    tert-butyl acetate 3.0
    decalin 0.08
    glycerin 10.23
    diglyme 14.68
    acrylic acid 4.96
    isopropyl myristate 1.47
    n-butyric acid 4.82
    acetyl acetate 2.18
    di(2-ethylhexyl) phthalate 2.7
    ethyl propionate 3.7
    nitromethane 10.6
    1,2-diethoxyethane 2.62
    benzonitrile 2.02
    trioctyl phosphate 2.44
    1-bromopropane 0.98
    gamma-valerolactone 15.63
    n-decanol 1.39
    triethyl phosphate 4.08
    4-methyl-2-pentanol 1.21
    propionitrile 2.21
    vinylene carbonate 5.89
    1,1,2-trichlorotrifluoroethane 19.46
    DMS 5.16
    cumene 0.39
    2-octanol 1.61
    2-hexanone 2.86
    octyl acetate 2.32
    limonene 1.25
    1,2-dimethoxyethane 10.24
    ethyl orthosilicate 3.38
    tributyl phosphate 2.53
    diacetone alcohol 8.04
    N,N-dimethylaniline 1.61
    acrylonitrile 3.94
    aniline 1.31
    1,3-propanediol 6.65
    bromobenzene 0.34
    dibromomethane 1.09
    1,1,2,2-tetrachloroethane 3.72
    2-methyl-cyclohexyl acetate 3.78
    tetrabutyl urea 3.91
    diisobutyl methanol 1.31
    2-phenylethanol 4.21
    styrene 0.24
    dioctyl adipate 2.58
    dimethyl sulfate 14.83
    ethyl butyrate 3.83
    methyl lactate 8.86
    butyl lactate 4.98
    diethyl carbonate 3.23
    propanediol butyl ether 5.51
    triethyl orthoformate 3.61
    p-tert-butyltoluene 0.79
    methyl 4-tert-butylbenzoate 5.78
    morpholine 5.59
    tert-butylamine 0.82
    n-dodecanol 0.97
    dimethoxymethane 10.54
    ethylene carbonate 4.95
    cyrene 10.2
    2-ethoxyethyl acetate 5.65
    2-ethylhexyl acetate 3.36
    1,2,4-trichlorobenzene 1.72
    4-methylpyridine 2.15
    dibutyl ether 1.15
    2,6-dimethyl-4-heptanol 1.31
    DEF 8.84
    dimethyl isosorbide 13.33
    tetrachloroethylene 3.42
    eugenol 6.91
    triacetin 4.47
    span 80 5.15
    1,4-butanediol 2.25
    1,1-dichloroethane 0.7
    2-methyl-1-pentanol 2.07
    methyl formate 5.69
    2-methyl-1-butanol 2.23
    n-decane 0.1
    butyronitrile 1.95
    3,7-dimethyl-1-octanol 1.54
    1-chlorooctane 0.62
    1-chlorotetradecane 0.26
    n-nonane 0.08
    undecane 0.08
    tert-butylcyclohexane 0.07
    cyclooctane 0.04
    cyclopentanol 3.18
    tetrahydropyran 1.81
    tert-amyl methyl ether 1.46
    2,5,8-trioxanonane 10.64
    1-hexene 0.24
    2-isopropoxyethanol 4.71
    2,2,2-trifluoroethanol 7.36
    methyl butyrate 4.72

    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