Irenolone

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  • Identifiers

    CAS number
    149184-19-0

    Molecular formula
    C19H12O3

    SMILES
    C1=CC2=C3C(=C1)C(=O)C(=CC3=C(C=C2)C4=CC=C(C=C4)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 48.2%
    Fruity 35.14%
    Sweet 33.65%
    Odorless 32.05%
    Balsamic 28.2%
    Bitter 28.01%
    Spicy 27.64%
    Powdery 27.07%
    Vanilla 26.0%
    Burnt 25.11%

     

    Flavor
    Bitter 94.95%
    Very strong 20.02%
    Indole 19.57%
    Nitrile 19.54%
    Lovage 18.97%
    Moth ball 18.4%
    Cedarleaf 18.33%
    Sweet-like 18.22%
    Naphthelene 18.17%
    Odorless 18.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.61 (weak base)

    Molecular weight
    288.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    648°C

    Melting point expt.

    • 285 °C

    Flash point

    • 267.07 ˚C est.

  • Synonyms

    • Irenolone
    • 149184-19-0
    • 2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one
    • 2-hydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one
    • RefChem:148703
    • orb1681060
    • CHEMBL1164175
    • CHEBI:189809
    • AKOS004902211
    • CS-0024430
    • 149184-19-0

  • Applications

    Irenolone (CAS 149184-19-0) is primarily used in perfumery as an odorant and fragrance ingredient, where it contributes to specific scent profiles. It may be used as a component in cosmetics/personal care formulations to provide or reinforce fragrance notes, and can function as an intermediate in fragrance chemistry for the synthesis of related aroma compounds. In household products such as cleaners, it can serve as a fragrance additive to impart a desirable aroma. It may also be evaluated for use in fragrance chemistry development, depending on formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.4
    methanol 0.45
    isopropanol 0.25
    water 0.0
    ethyl acetate 0.6
    n-propanol 0.39
    acetone 0.56
    n-butanol 0.37
    acetonitrile 0.18
    DMF 4.7
    toluene 0.56
    isobutanol 0.24
    1,4-dioxane 2.39
    methyl acetate 0.67
    THF 5.74
    2-butanone 1.1
    n-pentanol 0.3
    sec-butanol 0.27
    n-hexane 0.0
    ethylene glycol 0.67
    NMP 3.11
    cyclohexane 0.0
    DMSO 3.09
    n-butyl acetate 1.34
    n-octanol 0.56
    chloroform 0.06
    n-propyl acetate 0.92
    acetic acid 1.01
    dichloromethane 0.1
    cyclohexanone 1.56
    propylene glycol 0.58
    isopropyl acetate 1.17
    DMAc 10.99
    2-ethoxyethanol 2.53
    isopentanol 0.55
    n-heptane 0.01
    ethyl formate 0.42
    1,2-dichloroethane 0.23
    n-hexanol 0.58
    2-methoxyethanol 5.04
    isobutyl acetate 0.91
    tetrachloromethane 0.03
    n-pentyl acetate 2.16
    transcutol 24.35
    n-heptanol 0.91
    ethylbenzene 0.56
    MIBK 1.41
    2-propoxyethanol 5.62
    tert-butanol 0.52
    MTBE 0.56
    2-butoxyethanol 5.01
    propionic acid 0.63
    o-xylene 0.66
    formic acid 1.08
    diethyl ether 0.3
    m-xylene 0.59
    p-xylene 0.45
    chlorobenzene 0.25
    dimethyl carbonate 2.18
    n-octane 0.01
    formamide 2.78
    cyclopentanone 2.72
    2-pentanone 0.89
    anisole 2.83
    cyclopentyl methyl ether 1.09
    gamma-butyrolactone 2.94
    1-methoxy-2-propanol 4.29
    pyridine 2.65
    3-pentanone 0.72
    furfural 4.39
    n-dodecane 0.03
    diethylene glycol 6.0
    diisopropyl ether 0.26
    tert-amyl alcohol 0.56
    acetylacetone 2.9
    n-hexadecane 0.04
    acetophenone 3.21
    methyl propionate 0.97
    isopentyl acetate 2.33
    trichloroethylene 0.84
    n-nonanol 0.83
    cyclohexanol 0.31
    benzyl alcohol 1.99
    2-ethylhexanol 0.71
    isooctanol 0.98
    dipropyl ether 0.98
    1,2-dichlorobenzene 0.5
    ethyl lactate 2.02
    propylene carbonate 1.44
    n-methylformamide 1.32
    2-pentanol 0.24
    n-pentane 0.0
    1-propoxy-2-propanol 4.2
    1-methoxy-2-propyl acetate 6.72
    2-(2-methoxypropoxy) propanol 8.47
    mesitylene 0.47
    ε-caprolactone 1.99
    p-cymene 0.94
    epichlorohydrin 4.1
    1,1,1-trichloroethane 0.13
    2-aminoethanol 0.98
    morpholine-4-carbaldehyde 7.44
    sulfolane 5.14
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.14
    n-hexyl acetate 2.29
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 9.87
    sec-butyl acetate 1.29
    tert-butyl acetate 3.16
    decalin 0.03
    glycerin 2.78
    diglyme 19.04
    acrylic acid 1.02
    isopropyl myristate 1.83
    n-butyric acid 0.83
    acetyl acetate 1.03
    di(2-ethylhexyl) phthalate 2.55
    ethyl propionate 1.28
    nitromethane 1.85
    1,2-diethoxyethane 4.93
    benzonitrile 1.05
    trioctyl phosphate 1.57
    1-bromopropane 0.06
    gamma-valerolactone 6.93
    n-decanol 0.67
    triethyl phosphate 2.43
    4-methyl-2-pentanol 0.47
    propionitrile 0.37
    vinylene carbonate 1.62
    1,1,2-trichlorotrifluoroethane 5.76
    DMS 4.29
    cumene 0.57
    2-octanol 0.54
    2-hexanone 0.98
    octyl acetate 1.77
    limonene 0.67
    1,2-dimethoxyethane 5.5
    ethyl orthosilicate 2.5
    tributyl phosphate 1.61
    diacetone alcohol 5.12
    N,N-dimethylaniline 2.38
    acrylonitrile 0.83
    aniline 1.27
    1,3-propanediol 1.6
    bromobenzene 0.22
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.75
    2-methyl-cyclohexyl acetate 2.79
    tetrabutyl urea 2.94
    diisobutyl methanol 0.93
    2-phenylethanol 3.0
    styrene 0.51
    dioctyl adipate 3.5
    dimethyl sulfate 4.32
    ethyl butyrate 1.73
    methyl lactate 2.81
    butyl lactate 3.37
    diethyl carbonate 1.71
    propanediol butyl ether 3.99
    triethyl orthoformate 2.83
    p-tert-butyltoluene 0.99
    methyl 4-tert-butylbenzoate 7.0
    morpholine 2.42
    tert-butylamine 0.22
    n-dodecanol 0.53
    dimethoxymethane 4.39
    ethylene carbonate 1.04
    cyrene 5.95
    2-ethoxyethyl acetate 5.93
    2-ethylhexyl acetate 1.84
    1,2,4-trichlorobenzene 1.12
    4-methylpyridine 1.44
    dibutyl ether 1.09
    2,6-dimethyl-4-heptanol 0.93
    DEF 1.68
    dimethyl isosorbide 14.44
    tetrachloroethylene 0.62
    eugenol 7.62
    triacetin 5.42
    span 80 4.87
    1,4-butanediol 0.46
    1,1-dichloroethane 0.06
    2-methyl-1-pentanol 0.57
    methyl formate 0.9
    2-methyl-1-butanol 0.43
    n-decane 0.04
    butyronitrile 0.29
    3,7-dimethyl-1-octanol 0.86
    1-chlorooctane 0.25
    1-chlorotetradecane 0.17
    n-nonane 0.02
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.0
    cyclopentanol 0.32
    tetrahydropyran 0.7
    tert-amyl methyl ether 0.74
    2,5,8-trioxanonane 15.4
    1-hexene 0.02
    2-isopropoxyethanol 2.18
    2,2,2-trifluoroethanol 0.57
    methyl butyrate 1.2

    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