citpressine II

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  • Identifiers

    CAS number
    81525-59-9

    Molecular formula
    C17H17NO5

    SMILES
    CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=C(C=C3)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 51.11%
    Sweet 44.92%
    Vanilla 40.3%
    Spicy 38.41%
    Fruity 36.58%
    Woody 35.82%
    Powdery 35.51%
    Smoky 33.44%
    Burnt 30.3%
    Balsamic 29.23%

     

    Flavor
    Bitter 90.94%
    Bland 24.79%
    Odorless 23.22%
    Parsley 20.94%
    Cedarleaf 19.85%
    Sweet-like 19.85%
    Eugenol 19.42%
    Lovage 19.33%
    Ripe apricot 18.62%
    Very strong 18.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.49 (neutral)

    Molecular weight
    315.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    674°C

    Melting point expt.

    • 168 - 170 °C

    Flash point

    • 231.75 ˚C est.

  • Synonyms

    • citpressine II
    • 1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one
    • CHEBI:172546
    • DTXSID101207559
    • 1-hydroxy-3,5,6-trimethoxy-10-methyl-9,10-dihydroacridin-9-one
    • 81525-59-9
    • 1-Hydroxy-3,5,6-trimethoxy-10-methylacridone
    • 1-hydroxy-3,5,6-trimethoxy-10-methyl-acridin-9-one
    • 1-Hydroxy-3,5,6-trimethoxy-10-methyl-9(10H)-acridinone
    • 1-Hydroxy-3,5,6-trimethoxy-10-methylacridin-9(10H)-one
    • 9(10H)-Acridinone, 1-hydroxy-3,5,6-trimethoxy-10-methyl-
    • 81525-59-9

  • Applications

    citpressine II (CAS 81525-59-9) may be used as an intermediate in the synthesis of fragrance and flavor compounds, and may function as a solvent or co-solvent in cosmetics and personal care formulations; it can act as an odorant or potential fixative in perfumery; it may serve as a processing aid or stabilizer in polymers, coatings, and inks; and it may be employed in cleaning and household product formulations as a solvent or fragrance ingredient, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.78
    methanol 3.55
    isopropanol 1.38
    water 0.04
    ethyl acetate 6.56
    n-propanol 2.11
    acetone 8.68
    n-butanol 1.91
    acetonitrile 6.44
    DMF 26.33
    toluene 1.01
    isobutanol 1.88
    1,4-dioxane 9.18
    methyl acetate 8.55
    THF 16.55
    2-butanone 7.3
    n-pentanol 2.55
    sec-butanol 1.51
    n-hexane 0.14
    ethylene glycol 3.37
    NMP 34.19
    cyclohexane 0.29
    DMSO 46.0
    n-butyl acetate 7.37
    n-octanol 2.42
    chloroform 13.98
    n-propyl acetate 7.36
    acetic acid 13.4
    dichloromethane 20.52
    cyclohexanone 15.75
    propylene glycol 1.16
    isopropyl acetate 4.01
    DMAc 32.88
    2-ethoxyethanol 10.92
    isopentanol 2.4
    n-heptane 0.23
    ethyl formate 8.99
    1,2-dichloroethane 15.15
    n-hexanol 3.63
    2-methoxyethanol 15.48
    isobutyl acetate 5.24
    tetrachloromethane 3.1
    n-pentyl acetate 6.52
    transcutol 12.05
    n-heptanol 3.22
    ethylbenzene 1.38
    MIBK 4.21
    2-propoxyethanol 15.12
    tert-butanol 2.3
    MTBE 1.43
    2-butoxyethanol 9.89
    propionic acid 5.98
    o-xylene 1.41
    formic acid 12.57
    diethyl ether 1.91
    m-xylene 1.06
    p-xylene 2.3
    chlorobenzene 4.31
    dimethyl carbonate 8.68
    n-octane 0.18
    formamide 20.73
    cyclopentanone 21.18
    2-pentanone 5.47
    anisole 3.63
    cyclopentyl methyl ether 4.49
    gamma-butyrolactone 30.42
    1-methoxy-2-propanol 7.3
    pyridine 11.22
    3-pentanone 5.2
    furfural 33.45
    n-dodecane 0.2
    diethylene glycol 21.57
    diisopropyl ether 0.65
    tert-amyl alcohol 2.35
    acetylacetone 11.05
    n-hexadecane 0.25
    acetophenone 8.95
    methyl propionate 8.26
    isopentyl acetate 7.35
    trichloroethylene 27.15
    n-nonanol 2.66
    cyclohexanol 2.99
    benzyl alcohol 5.69
    2-ethylhexanol 3.36
    isooctanol 2.96
    dipropyl ether 2.31
    1,2-dichlorobenzene 6.84
    ethyl lactate 6.73
    propylene carbonate 15.97
    n-methylformamide 14.51
    2-pentanol 1.05
    n-pentane 0.11
    1-propoxy-2-propanol 7.42
    1-methoxy-2-propyl acetate 10.15
    2-(2-methoxypropoxy) propanol 9.69
    mesitylene 0.85
    ε-caprolactone 15.29
    p-cymene 2.25
    epichlorohydrin 31.01
    1,1,1-trichloroethane 7.6
    2-aminoethanol 3.33
    morpholine-4-carbaldehyde 30.98
    sulfolane 45.18
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 7.6
    n-hexyl acetate 6.09
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 10.15
    sec-butyl acetate 4.02
    tert-butyl acetate 4.66
    decalin 0.34
    glycerin 5.9
    diglyme 21.24
    acrylic acid 9.49
    isopropyl myristate 2.78
    n-butyric acid 6.7
    acetyl acetate 6.98
    di(2-ethylhexyl) phthalate 5.66
    ethyl propionate 6.31
    nitromethane 31.95
    1,2-diethoxyethane 5.26
    benzonitrile 8.65
    trioctyl phosphate 4.05
    1-bromopropane 3.77
    gamma-valerolactone 30.79
    n-decanol 2.07
    triethyl phosphate 6.86
    4-methyl-2-pentanol 1.13
    propionitrile 5.38
    vinylene carbonate 17.35
    1,1,2-trichlorotrifluoroethane 36.79
    DMS 9.91
    cumene 1.51
    2-octanol 1.91
    2-hexanone 7.08
    octyl acetate 4.01
    limonene 2.6
    1,2-dimethoxyethane 17.68
    ethyl orthosilicate 5.62
    tributyl phosphate 5.05
    diacetone alcohol 8.54
    N,N-dimethylaniline 3.76
    acrylonitrile 10.91
    aniline 3.3
    1,3-propanediol 5.11
    bromobenzene 3.66
    dibromomethane 10.95
    1,1,2,2-tetrachloroethane 18.97
    2-methyl-cyclohexyl acetate 7.94
    tetrabutyl urea 7.49
    diisobutyl methanol 1.78
    2-phenylethanol 8.04
    styrene 1.4
    dioctyl adipate 5.43
    dimethyl sulfate 22.39
    ethyl butyrate 6.32
    methyl lactate 8.48
    butyl lactate 6.36
    diethyl carbonate 6.2
    propanediol butyl ether 5.43
    triethyl orthoformate 5.21
    p-tert-butyltoluene 1.76
    methyl 4-tert-butylbenzoate 9.6
    morpholine 10.51
    tert-butylamine 0.98
    n-dodecanol 1.64
    dimethoxymethane 14.02
    ethylene carbonate 13.55
    cyrene 16.44
    2-ethoxyethyl acetate 10.61
    2-ethylhexyl acetate 6.43
    1,2,4-trichlorobenzene 8.47
    4-methylpyridine 7.77
    dibutyl ether 2.15
    2,6-dimethyl-4-heptanol 1.78
    DEF 11.48
    dimethyl isosorbide 19.23
    tetrachloroethylene 17.89
    eugenol 11.52
    triacetin 9.05
    span 80 6.56
    1,4-butanediol 2.96
    1,1-dichloroethane 5.7
    2-methyl-1-pentanol 3.09
    methyl formate 15.38
    2-methyl-1-butanol 2.19
    n-decane 0.31
    butyronitrile 4.68
    3,7-dimethyl-1-octanol 2.34
    1-chlorooctane 1.65
    1-chlorotetradecane 0.83
    n-nonane 0.24
    undecane 0.25
    tert-butylcyclohexane 0.24
    cyclooctane 0.12
    cyclopentanol 3.96
    tetrahydropyran 4.49
    tert-amyl methyl ether 1.77
    2,5,8-trioxanonane 16.26
    1-hexene 0.65
    2-isopropoxyethanol 7.05
    2,2,2-trifluoroethanol 14.17
    methyl butyrate 9.34

    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