Citpressine I

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  • Identifiers

    CAS number
    81525-58-8

    Molecular formula
    C16H15NO5

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 55.7%
    Odorless 37.0%
    Burnt 34.01%
    Vanilla 33.93%
    Spicy 32.94%
    Smoky 32.88%
    Sweet 31.19%
    Woody 28.78%
    Fruity 28.42%
    Powdery 27.3%

     

    Flavor
    Bitter 91.62%
    Odorless 27.16%
    Bland 24.79%
    Sweet-like 20.91%
    Parsley 20.64%
    Cedarleaf 20.31%
    Eugenol 19.91%
    Lovage 19.65%
    Very strong 19.33%
    Indole 19.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.62 (weak base)

    Molecular weight
    301.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    765°C

    Melting point expt.

    • 183 - 185 °C

    Flash point

    • 249.83 ˚C est.

  • Synonyms

    • Citpressine I
    • P3864YU5DK
    • 1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one
    • CHEMBL-455602
    • 1,6-Dihydroxy-3,5-dimethoxy-10-methyl-9(10H)-acridinone
    • 9(10H)-Acridinone, 1,6-dihydroxy-3,5-dimethoxy-10-methyl-
    • 3,5-Dimethoxy-10-methyl-1,6-bis(oxidanyl)acridin-9-one
    • 1,6-dihydroxy-3,5-dimethoxy-10-methyl-9,10-dihydroacridin-9-one
    • 1,6-Dihydroxy-3,5-dimethoxy-10-methylacridone
    • RefChem:126510
    • UNII-P3864YU5DK
    • 81525-58-8
    • CHEMBL455602
    • SCHEMBL29711402
    • CHEBI:168960
    • DTXSID301206276
    • 1,6-dihydroxy-3,5-dimethoxy-10-methyl-acridin-9-one
    • 1,6-Dihydroxy-3,5-dimethoxy-10-methylacridin-9(10H)-one
    • 81525-58-8

  • Applications

    Citpressine I, CAS 81525-58-8, is used as an aroma ingredient with practical applications across fragrance-related industries: as an odorant in perfumery and cosmetics formulations; may function as a fragrance fixative in perfumery; evaluated for use as an aroma constituent in food processing; used in cosmetics/personal care as a fragrance component; employed in household products (cleaners, air fresheners) to impart scent; serves as an intermediate in industrial manufacturing for fragrance synthesis; and may be incorporated into coatings/inks as a fragrance-release additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.69
    methanol 2.29
    isopropanol 0.82
    water 0.03
    ethyl acetate 2.47
    n-propanol 1.27
    acetone 3.61
    n-butanol 1.22
    acetonitrile 2.31
    DMF 19.09
    toluene 0.32
    isobutanol 1.04
    1,4-dioxane 3.69
    methyl acetate 3.23
    THF 11.37
    2-butanone 3.78
    n-pentanol 1.6
    sec-butanol 0.88
    n-hexane 0.06
    ethylene glycol 2.86
    NMP 23.98
    cyclohexane 0.08
    DMSO 46.98
    n-butyl acetate 3.92
    n-octanol 1.83
    chloroform 3.14
    n-propyl acetate 3.3
    acetic acid 6.22
    dichloromethane 5.22
    cyclohexanone 8.75
    propylene glycol 1.01
    isopropyl acetate 1.67
    DMAc 24.32
    2-ethoxyethanol 8.13
    isopentanol 1.54
    n-heptane 0.11
    ethyl formate 4.04
    1,2-dichloroethane 4.97
    n-hexanol 2.48
    2-methoxyethanol 14.04
    isobutyl acetate 2.3
    tetrachloromethane 0.85
    n-pentyl acetate 3.7
    transcutol 8.54
    n-heptanol 2.51
    ethylbenzene 0.55
    MIBK 2.49
    2-propoxyethanol 12.05
    tert-butanol 1.44
    MTBE 0.68
    2-butoxyethanol 7.91
    propionic acid 2.71
    o-xylene 0.54
    formic acid 9.79
    diethyl ether 0.74
    m-xylene 0.46
    p-xylene 0.87
    chlorobenzene 1.2
    dimethyl carbonate 4.43
    n-octane 0.09
    formamide 15.57
    cyclopentanone 12.76
    2-pentanone 2.95
    anisole 1.58
    cyclopentyl methyl ether 2.45
    gamma-butyrolactone 17.92
    1-methoxy-2-propanol 6.51
    pyridine 4.42
    3-pentanone 2.43
    furfural 18.46
    n-dodecane 0.11
    diethylene glycol 18.46
    diisopropyl ether 0.28
    tert-amyl alcohol 1.49
    acetylacetone 5.25
    n-hexadecane 0.13
    acetophenone 4.3
    methyl propionate 3.97
    isopentyl acetate 4.03
    trichloroethylene 8.08
    n-nonanol 2.01
    cyclohexanol 1.64
    benzyl alcohol 3.13
    2-ethylhexanol 2.08
    isooctanol 2.2
    dipropyl ether 1.38
    1,2-dichlorobenzene 2.2
    ethyl lactate 4.25
    propylene carbonate 7.76
    n-methylformamide 9.49
    2-pentanol 0.63
    n-pentane 0.04
    1-propoxy-2-propanol 6.16
    1-methoxy-2-propyl acetate 6.08
    2-(2-methoxypropoxy) propanol 7.23
    mesitylene 0.38
    ε-caprolactone 8.08
    p-cymene 1.14
    epichlorohydrin 16.79
    1,1,1-trichloroethane 2.02
    2-aminoethanol 2.75
    morpholine-4-carbaldehyde 20.12
    sulfolane 34.05
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 3.83
    n-hexyl acetate 3.55
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 8.01
    sec-butyl acetate 1.81
    tert-butyl acetate 2.46
    decalin 0.12
    glycerin 6.13
    diglyme 14.46
    acrylic acid 4.45
    isopropyl myristate 1.67
    n-butyric acid 3.49
    acetyl acetate 2.29
    di(2-ethylhexyl) phthalate 3.55
    ethyl propionate 2.92
    nitromethane 15.15
    1,2-diethoxyethane 3.0
    benzonitrile 3.85
    trioctyl phosphate 2.79
    1-bromopropane 1.3
    gamma-valerolactone 20.11
    n-decanol 1.55
    triethyl phosphate 3.91
    4-methyl-2-pentanol 0.72
    propionitrile 2.54
    vinylene carbonate 7.76
    1,1,2-trichlorotrifluoroethane 22.99
    DMS 4.94
    cumene 0.65
    2-octanol 1.44
    2-hexanone 3.78
    octyl acetate 2.45
    limonene 1.26
    1,2-dimethoxyethane 12.06
    ethyl orthosilicate 3.11
    tributyl phosphate 3.19
    diacetone alcohol 6.52
    N,N-dimethylaniline 1.95
    acrylonitrile 5.39
    aniline 1.39
    1,3-propanediol 4.46
    bromobenzene 0.97
    dibromomethane 2.86
    1,1,2,2-tetrachloroethane 6.32
    2-methyl-cyclohexyl acetate 4.34
    tetrabutyl urea 4.92
    diisobutyl methanol 1.14
    2-phenylethanol 4.83
    styrene 0.49
    dioctyl adipate 3.11
    dimethyl sulfate 13.72
    ethyl butyrate 3.28
    methyl lactate 6.19
    butyl lactate 4.44
    diethyl carbonate 3.02
    propanediol butyl ether 4.7
    triethyl orthoformate 2.94
    p-tert-butyltoluene 0.92
    methyl 4-tert-butylbenzoate 6.21
    morpholine 5.68
    tert-butylamine 0.56
    n-dodecanol 1.17
    dimethoxymethane 9.77
    ethylene carbonate 6.02
    cyrene 11.48
    2-ethoxyethyl acetate 5.74
    2-ethylhexyl acetate 3.36
    1,2,4-trichlorobenzene 2.93
    4-methylpyridine 3.24
    dibutyl ether 1.27
    2,6-dimethyl-4-heptanol 1.14
    DEF 6.43
    dimethyl isosorbide 13.84
    tetrachloroethylene 5.84
    eugenol 7.62
    triacetin 4.92
    span 80 4.89
    1,4-butanediol 2.32
    1,1-dichloroethane 1.56
    2-methyl-1-pentanol 1.96
    methyl formate 8.31
    2-methyl-1-butanol 1.36
    n-decane 0.16
    butyronitrile 2.3
    3,7-dimethyl-1-octanol 1.59
    1-chlorooctane 0.85
    1-chlorotetradecane 0.43
    n-nonane 0.12
    undecane 0.13
    tert-butylcyclohexane 0.1
    cyclooctane 0.04
    cyclopentanol 2.22
    tetrahydropyran 1.89
    tert-amyl methyl ether 0.89
    2,5,8-trioxanonane 11.68
    1-hexene 0.29
    2-isopropoxyethanol 4.83
    2,2,2-trifluoroethanol 7.06
    methyl butyrate 4.54

    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